loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about Albuvirtide, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    Albuvirtide

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as:
    Molecular Formula
    C202H303N53O72
    Molecular Weight
    4626  g/mol
    InChI Key
    QNWVQSLLLTZQPH-VIIPOJRNSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
    2.1.2 InChI
    InChI=1S/C202H303N53O72/c1-16-99(12)164(197(320)237-127(50-65-161(285)286)178(301)230-126(49-64-160(283)284)183(306)250-141(92-256)196(319)235-119(42-55-145(208)262)179(302)244-136(85-147(210)264)188(311)232-118(41-54-144(207)261)174(297)225-116(39-52-142(205)259)172(295)227-121(44-59-155(273)274)176(299)223-113(32-23-25-68-203)170(293)243-135(84-146(209)263)189(312)234-122(45-60-156(275)276)177(300)226-117(40-53-143(206)260)173(296)228-123(46-61-157(277)278)180(303)238-129(76-95(4)5)185(308)249-140(201(324)325)79-98(10)11)252-194(317)131(78-97(8)9)240-181(304)125(48-63-159(281)282)233-187(310)134(83-106-91-215-94-221-106)247-198(321)166(101(14)18-3)253-193(316)130(77-96(6)7)239-171(294)114(33-24-26-69-216-151(268)93-327-75-74-326-73-71-217-150(267)67-72-255-152(269)56-57-153(255)270)236-200(323)167(102(15)257)254-195(318)132(80-103-35-37-107(258)38-36-103)241-190(313)137(86-148(211)265)245-191(314)138(87-149(212)266)248-199(322)165(100(13)17-2)251-184(307)128(51-66-162(287)288)231-169(292)115(34-27-70-218-202(213)214)224-192(315)139(88-163(289)290)246-186(309)133(82-105-90-220-112-31-22-20-29-109(105)112)242-182(305)124(47-62-158(279)280)229-175(298)120(43-58-154(271)272)222-168(291)110(204)81-104-89-219-111-30-21-19-28-108(104)111/h19-22,28-31,35-38,56-57,89-91,94-102,110,113-141,164-167,219-220,256-258H,16-18,23-27,32-34,39-55,58-88,92-93,203-204H2,1-15H3,(H2,205,259)(H2,206,260)(H2,207,261)(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H,215,221)(H,216,268)(H,217,267)(H,222,291)(H,223,299)(H,224,315)(H,225,297)(H,226,300)(H,227,295)(H,228,296)(H,229,298)(H,230,301)(H,231,292)(H,232,311)(H,233,310)(H,234,312)(H,235,319)(H,236,323)(H,237,320)(H,238,303)(H,239,294)(H,240,304)(H,241,313)(H,242,305)(H,243,293)(H,244,302)(H,245,314)(H,246,309)(H,247,321)(H,248,322)(H,249,308)(H,250,306)(H,251,307)(H,252,317)(H,253,316)(H,254,318)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,324,325)(H4,213,214,218)/t99-,100-,101-,102+,110-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,164-,165-,166-,167-/m0/s1
    2.1.3 InChI Key
    QNWVQSLLLTZQPH-VIIPOJRNSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)O)C(=O)NC(CCCCNC(=O)COCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC3=CN=CN3)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC6=CNC7=CC=CC=C76)N
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCNC(=O)COCCOCCNC(=O)CCN2C(=O)C=CC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)N
    2.2 Create Date
    2013-07-09
    3 Chemical and Physical Properties
    Molecular Weight 4626 g/mol
    Molecular Formula C202H303N53O72
    XLogP3-20.6
    Hydrogen Bond Donor Count65
    Hydrogen Bond Acceptor Count76
    Rotatable Bond Count165
    Exact Mass4625.1744691 g/mol
    Monoisotopic Mass4623.1677595 g/mol
    Topological Polar Surface Area2060 Ų
    Heavy Atom Count327
    Formal Charge0
    Complexity11700
    Isotope Atom Count0
    Defined Atom Stereocenter Count38
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY