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    Chemistry

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    Also known as: Sci des-(b30), Insulin, single chain des-(b30)-, Insulin (ox), 8a-l-threonine-10a-l-isoleucine-30b-de-l-alanine-, 39416-73-4
    Molecular Formula
    C253H376N64O75S6
    Molecular Weight
    5706  g/mol
    InChI Key
    KLLRRCNOCWDFMV-SEZFUXCESA-N
    Insulin Dalanted
    1 2D Structure

    Insulin Dalanted

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-6-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,77S,80S,83S,88R)-88-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-6-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-47-[[(1S)-3-amino-1-carboxy-3-oxopropyl]carbamoyl]-53-(2-amino-2-oxoethyl)-62-(3-amino-3-oxopropyl)-77-[(2S)-butan-2-yl]-24,56-bis(2-carboxyethyl)-83-[(1R)-1-hydroxyethyl]-12,71,80-tris(hydroxymethyl)-33,50,65-tris[(4-hydroxyphenyl)methyl]-15-(1H-imidazol-5-ylmethyl)-27-methyl-18,30,36,59,68-pentakis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-21,39-di(propan-2-yl)-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosazabicyclo[72.11.7]dononacontane-42-carbonyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
    2.1.2 InChI
    InChI=1S/C253H376N64O75S6/c1-28-130(23)203(309-191(333)103-255)248(386)313-202(129(21)22)244(382)283-156(74-81-198(343)344)214(352)278-153(70-77-187(259)329)218(356)304-181-115-396-397-116-182-239(377)301-176(110-319)236(374)290-160(87-122(7)8)221(359)291-166(94-138-52-60-144(323)61-53-138)224(362)279-151(68-75-185(257)327)215(353)286-159(86-121(5)6)219(357)281-155(73-80-197(341)342)217(355)298-172(100-188(260)330)231(369)294-168(96-140-56-64-146(325)65-57-140)227(365)305-180(238(376)300-174(252(391)392)102-190(262)332)114-395-394-113-179(211(349)269-106-192(334)274-150(71-78-195(337)338)213(351)277-149(50-41-83-267-253(263)264)209(347)268-107-193(335)275-164(92-136-45-35-31-36-46-136)223(361)293-165(93-137-47-37-32-38-48-137)226(364)295-169(97-141-58-66-147(326)67-59-141)234(372)316-206(134(27)322)250(388)317-84-42-51-184(317)242(380)284-157(251(389)390)49-39-40-82-254)307-246(384)201(128(19)20)312-232(370)162(89-124(11)12)288-225(363)167(95-139-54-62-145(324)63-55-139)292-220(358)158(85-120(3)4)285-207(345)132(25)273-212(350)154(72-79-196(339)340)282-243(381)200(127(17)18)311-233(371)163(90-125(13)14)289-229(367)171(99-143-105-266-119-272-143)297-235(373)175(109-318)276-194(336)108-270-210(348)178(112-393-398-117-183(306-240(181)378)241(379)315-205(133(26)321)249(387)302-177(111-320)237(375)314-204(131(24)29-2)247(385)308-182)303-222(360)161(88-123(9)10)287-228(366)170(98-142-104-265-118-271-142)296-216(354)152(69-76-186(258)328)280-230(368)173(101-189(261)331)299-245(383)199(126(15)16)310-208(346)148(256)91-135-43-33-30-34-44-135/h30-38,43-48,52-67,104-105,118-134,148-184,199-206,318-326H,28-29,39-42,49-51,68-103,106-117,254-256H2,1-27H3,(H2,257,327)(H2,258,328)(H2,259,329)(H2,260,330)(H2,261,331)(H2,262,332)(H,265,271)(H,266,272)(H,268,347)(H,269,349)(H,270,348)(H,273,350)(H,274,334)(H,275,335)(H,276,336)(H,277,351)(H,278,352)(H,279,362)(H,280,368)(H,281,357)(H,282,381)(H,283,382)(H,284,380)(H,285,345)(H,286,353)(H,287,366)(H,288,363)(H,289,367)(H,290,374)(H,291,359)(H,292,358)(H,293,361)(H,294,369)(H,295,364)(H,296,354)(H,297,373)(H,298,355)(H,299,383)(H,300,376)(H,301,377)(H,302,387)(H,303,360)(H,304,356)(H,305,365)(H,306,378)(H,307,384)(H,308,385)(H,309,333)(H,310,346)(H,311,371)(H,312,370)(H,313,386)(H,314,375)(H,315,379)(H,316,372)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,389,390)(H,391,392)(H4,263,264,267)/t130-,131-,132-,133+,134+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,199-,200-,201-,202-,203-,204-,205-,206-/m0/s1
    2.1.3 InChI Key
    KLLRRCNOCWDFMV-SEZFUXCESA-N
    2.1.4 Canonical SMILES
    CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(CSSCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NC(CC(=O)N)C(=O)O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NC(C(C)O)C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N)C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)CC)NC(=O)CN
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(=O)N)C(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Insulin, Single Chain Des-(b30)-

    2. Sci Des-(b30)

    2.2.2 Depositor-Supplied Synonyms

    1. Sci Des-(b30)

    2. Insulin, Single Chain Des-(b30)-

    3. Insulin (ox), 8a-l-threonine-10a-l-isoleucine-30b-de-l-alanine-

    4. 39416-73-4

    2.3 Create Date
    2014-03-02
    3 Chemical and Physical Properties
    Molecular Weight 5706 g/mol
    Molecular Formula C253H376N64O75S6
    XLogP3-12.2
    Hydrogen Bond Donor Count76
    Hydrogen Bond Acceptor Count87
    Rotatable Bond Count176
    Exact Mass5704.5966814 g/mol
    Monoisotopic Mass5702.5899718 g/mol
    Topological Polar Surface Area2400 Ų
    Heavy Atom Count398
    Formal Charge0
    Complexity14300
    Isotope Atom Count0
    Defined Atom Stereocenter Count50
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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    ABOUT THIS PAGE

    Insulin Dalanted Manufacturers

    A Insulin Dalanted manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Insulin Dalanted, including repackagers and relabelers. The FDA regulates Insulin Dalanted manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Insulin Dalanted API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

    Insulin Dalanted Suppliers

    A Insulin Dalanted supplier is an individual or a company that provides Insulin Dalanted active pharmaceutical ingredient (API) or Insulin Dalanted finished formulations upon request. The Insulin Dalanted suppliers may include Insulin Dalanted API manufacturers, exporters, distributors and traders.

    Insulin Dalanted GMP

    Insulin Dalanted Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

    GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

    PharmaCompass offers a list of Insulin Dalanted GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Insulin Dalanted GMP manufacturer or Insulin Dalanted GMP API supplier for your needs.

    Insulin Dalanted CoA

    A Insulin Dalanted CoA (Certificate of Analysis) is a formal document that attests to Insulin Dalanted's compliance with Insulin Dalanted specifications and serves as a tool for batch-level quality control.

    Insulin Dalanted CoA mostly includes findings from lab analyses of a specific batch. For each Insulin Dalanted CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

    Insulin Dalanted may be tested according to a variety of international standards, such as European Pharmacopoeia (Insulin Dalanted EP), Insulin Dalanted JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Insulin Dalanted USP).

    Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
    For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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