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Substance Name: Vasopressin, (1beta-mercaptopropionic acid,8(epsilon-N-4-toluenesulfonyl)lys)-
RN: 39028-45-0
InChIKey: GSFLFKMGXPHHDO-UHFFFAOYSA-N

Molecular Weight

  • 1195.4
 
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Names and Synonyms

Name of Substance

  • Vasopressin, (1beta-mercaptopropionic acid,8(epsilon-N-4-toluenesulfonyl)lys)-

Synonyms

  • (1-beta-Mercaptopropionic acid,8(epsilon-N-4-toluenesulfonyl)lysine)vasopressin
  • Vasopressin, (1-beta-mercapto-propionic acid,8(epsilon-N-4-toluenesulfonyl)lysine)-
  • Vasopressin, (1-beta-mercaptopropionic-acid,8(epsilon-N-p-toluenesulfonyl)lysine)-

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-8-(N(6)-((4-methylphenyl)sulfonyl)-L-lysine)-

Registry Numbers

CAS Registry Number

  • 39028-45-0

System Generated Number

  • 0039028450

Structure Descriptors

InChI

1S/C53H70N12O14S3/c1-31-12-18-35(19-13-31)82(78,79)58-23-6-5-10-36(47(71)57-29-45(56)69)61-52(76)42-11-7-24-65(42)53(77)41-30-81-80-25-22-46(70)59-38(27-33-14-16-34(66)17-15-33)49(73)62-39(26-32-8-3-2-4-9-32)50(74)60-37(20-21-43(54)67)48(72)63-40(28-44(55)68)51(75)64-41/h2-4,8-9,12-19,36-42,58,66H,5-7,10-11,20-30H2,1H3,(H2,54,67)(H2,55,68)(H2,56,69)(H,57,71)(H,59,70)(H,60,74)(H,61,76)(H,62,73)(H,63,72)(H,64,75)

InChIKey

GSFLFKMGXPHHDO-UHFFFAOYSA-N

Smiles

N1([C@@H](CCC1)C(N[C@@H](C(NCC(N)=O)=O)CCCCNS(c1ccc(cc1)C)(=O)=O)=O)C([C@@H]1NC([C@@H](CC(N)=O)NC([C@@H](CCC(N)=O)NC([C@@H](NC(=O)[C@@H](NC(=O)CCSSC1)Cc1ccc(cc1)O)Cc1ccccc1)=O)=O)=O)=O