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Substance Name: Vasopressin, 1-deamino-(2-(O-methyl)tyr)-4-val-8-arg-
RN: 85114-98-3
InChIKey: DQHKJGSQVWIRAZ-KLMJERDXSA-N

Molecular Formula

  • C47-H67-N13-O11-S2

Molecular Weight

  • 1056.2741
 
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Names and Synonyms

Name of Substance

  • Vasopressin, 1-deamino-(2-(O-methyl)tyr)-4-val-8-arg-

Synonyms

  • 1-Deamino-(2-(O-methyl)tyr)arg-vasopressin
  • 1-Deamino-(2-(O-methyl)tyrosyl)arginine vasopressin
  • Vasopressin, 1-deamino-(2-(O-methyl)tyrosyl)arginine-

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-2-(O-methyl-L-tyrosine)-4-L-valine-8-D-arginine-

Registry Numbers

CAS Registry Number

  • 85114-98-3

System Generated Number

  • 0085114983

Structure Descriptors

InChI

1S/C47H69N13O11S2/c1-26(2)39(59-43(67)32(21-27-9-5-4-6-10-27)56-41(65)31(54-38(63)17-20-72)22-28-13-15-29(71-3)16-14-28)45(69)57-33(23-36(48)61)42(66)58-34(25-73)46(70)60-19-8-12-35(60)44(68)55-30(11-7-18-52-47(50)51)40(64)53-24-37(49)62/h4-6,9-10,13-16,26,30-35,39,72-73H,7-8,11-12,17-25H2,1-3H3,(H2,48,61)(H2,49,62)(H,53,64)(H,54,63)(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,67)(H4,50,51,52)/t30-,31+,32+,33+,34+,35+,39+/m1/s1

InChIKey

DQHKJGSQVWIRAZ-KLMJERDXSA-N

Smiles

COc1ccc(C[C@H](NC(=O)CCS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N)cc1