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Substance Name: Vasopressin, (1-gamma-mercaptobutyric acid)-8-lys-
RN: 53608-20-1
InChIKey: XNCWCVOHHCEEHR-QJCLFNHPSA-N

Molecular Formula

  • C47-H66-N12-O12-S2

Molecular Weight

  • 1055.2424
 
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Names and Synonyms

Name of Substance

  • Vasopressin, (1-gamma-mercaptobutyric acid)-8-lys-

Synonyms

  • (1-gamma-Mercaptobutyric acid)-8-lys-vasopressin
  • (1-gamma-Mercaptobutyric acid)-8-lysine vasopressin
  • Vasopressin, (1-gamma-mercaptobutyric acid)-8-lysine-

Systematic Name

  • Vasopressin, 1-(4-mercaptobutanoic acid)-8-L-lysine-

Registry Numbers

CAS Registry Number

  • 53608-20-1

System Generated Number

  • 0053608201

Structure Descriptors

InChI

1S/C47H66N12O12S2/c48-19-5-4-10-30(41(65)52-25-39(51)63)55-46(70)36-11-6-20-59(36)47(71)35-26-73-72-21-7-12-40(64)53-32(23-28-13-15-29(60)16-14-28)43(67)56-33(22-27-8-2-1-3-9-27)44(68)54-31(17-18-37(49)61)42(66)57-34(24-38(50)62)45(69)58-35/h1-3,8-9,13-16,30-36,60H,4-7,10-12,17-26,48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,70)(H,56,67)(H,57,66)(H,58,69)/t30-,31-,32-,33-,34-,35-,36-/m0/s1

InChIKey

XNCWCVOHHCEEHR-QJCLFNHPSA-N

Smiles

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSCCCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N