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    Natriuretic Peptide, C-Type

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    2D Structure
    Also known as: 127869-51-6, C-type natriuretic peptide (32-53) (human, porcine, rat), C-type natriuretic peptide (cnp) (1-22), human, Atriopeptin c (pig), Natriuretic peptide,c-type, Cnp (1-22), human
    Molecular Formula
    C93H157N27O28S3
    Molecular Weight
    2197.6  g/mol
    InChI Key
    UHSBKBYWHCBDCJ-DYGWFTAGSA-N
    A PEPTIDE of 22 amino acids, derived mainly from cells of VASCULAR ENDOTHELIUM. It is also found in the BRAIN, major endocrine glands, and other tissues. It shares structural homology with ATRIAL NATRIURETIC FACTOR. It has vasorelaxant activity thus is important in the regulation of vascular tone and blood flow. Several high molecular weight forms containing the 22 amino acids have been identified.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-10,37,43-tris(2-methylpropyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C93H157N27O28S3/c1-12-52(10)76-91(146)104-42-72(127)108-65(44-122)88(143)114-57(26-30-149-11)82(137)118-64(43-121)80(135)103-39-70(125)106-58(31-48(2)3)78(133)101-41-74(129)110-68(92(147)148)47-151-150-46-67(109-73(128)40-100-77(132)54(23-16-18-27-94)111-89(144)66(45-123)119-85(140)59(32-49(4)5)105-69(124)37-96)90(145)116-62(35-53-21-14-13-15-22-53)79(134)102-38-71(126)107-60(33-50(6)7)84(139)112-55(24-17-19-28-95)81(136)115-61(34-51(8)9)86(141)117-63(36-75(130)131)87(142)113-56(83(138)120-76)25-20-29-99-93(97)98/h13-15,21-22,48-52,54-68,76,121-123H,12,16-20,23-47,94-96H2,1-11H3,(H,100,132)(H,101,133)(H,102,134)(H,103,135)(H,104,146)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,144)(H,112,139)(H,113,142)(H,114,143)(H,115,136)(H,116,145)(H,117,141)(H,118,137)(H,119,140)(H,120,138)(H,130,131)(H,147,148)(H4,97,98,99)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-/m0/s1
    2.1.3 InChI Key
    UHSBKBYWHCBDCJ-DYGWFTAGSA-N
    2.1.4 Canonical SMILES
    CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)CC(C)C)CCCCN)CC(C)C)CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)CN)C(=O)O)CC(C)C)CO)CCSC)CO
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[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)N1)CCCNC(=N)N)CC(=O)O)CC(C)C)CCCCN)CC(C)C)CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)O)CC(C)C)CO)CCSC)CO
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. C Type Natriuretic Peptide

    2. C Type Natriuretic Peptide 22

    3. C Type Natriuretic Peptide 53

    4. C-type Natriuretic Peptide

    5. C-type Natriuretic Peptide-22

    6. C-type Natriuretic Peptide-53

    7. Cnp-22

    8. Cnp-53

    9. Natriuretic Peptide, C Type

    10. Natriuretic Peptide-22, C-type

    11. Natriuretic Peptide-53, C-type

    12. Peptide, C-type Natriuretic

    13. Peptide-22, C-type Natriuretic

    14. Peptide-53, C-type Natriuretic

    2.2.2 Depositor-Supplied Synonyms

    1. 127869-51-6

    2. C-type Natriuretic Peptide (32-53) (human, Porcine, Rat)

    3. C-type Natriuretic Peptide (cnp) (1-22), Human

    4. Atriopeptin C (pig)

    5. Natriuretic Peptide,c-type

    6. Cnp (1-22), Human

    7. Unii-3vcd78874l

    8. Cnp-53

    9. Dtxsid60155686

    10. 3vcd78874l

    11. Bdbm287915

    12. Us10087144, Compound Cnp

    13. Akos024457659

    14. Natriuretic Peptide, C-type, >=95% (hplc)

    15. C-type Natriuretic Peptide (1-22) (human, Rat, Swine)

    16. C-type Natriuretic Peptide (32-53) (human, Porcine, Rat) Acetate Salt

    17. Natriuretic Peptide, C-type, Human And Porcine - Cas 127869-51-6

    18. C-type Natriuretic Peptide (cnp) (1-22), Humanc-type Natriuretic Peptide (cnp) (1-22), Human

    19. H-gly-leu-ser-lys-gly-cys-phe-gly-leu-lys-leu-asp-arg-ile-gly-ser-met-ser-gly-leu-gly-cys-oh

    2.3 Create Date
    2007-07-04
    3 Chemical and Physical Properties
    Molecular Weight 2197.6 g/mol
    Molecular Formula C93H157N27O28S3
    XLogP3-8.7
    Hydrogen Bond Donor Count32
    Hydrogen Bond Acceptor Count35
    Rotatable Bond Count44
    Exact Mass2196.0853510 g/mol
    Monoisotopic Mass2196.0853510 g/mol
    Topological Polar Surface Area962 Ų
    Heavy Atom Count151
    Formal Charge0
    Complexity4490
    Isotope Atom Count0
    Defined Atom Stereocenter Count17
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Natriuretic Agents

    Endogenous or exogenous chemicals that regulate the WATER-ELECTROLYTE BALANCE in the body. They consist of peptides and non-peptide compounds. (See all compounds classified as Natriuretic Agents.)