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Substance Name: Vasopressin, epsilon-hydroxy-nle(8)-
RN: 43210-81-7
InChIKey: KHGPEHMFIJQELN-DZCXQCEKSA-N

Molecular Formula

  • C46-H63-N11-O13-S2

Molecular Weight

  • 1042.1997
 
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Names and Synonyms

Name of Substance

  • Vasopressin, epsilon-hydroxy-nle(8)-

Synonyms

  • 8-(2-Hydroxyhexanoic acid)-vasopressin
  • 8-epsilon-Hydroxy-nle-vasopressin
  • 8-epsilon-Hydroxynorleucine-vasopressin
  • Vasopressin, epsilon-hydroxynorleucine(8)-

Systematic Name

  • Vasopressin, 8-(L-2-hydroxyhexanoic acid)-

Registry Numbers

CAS Registry Number

  • 43210-81-7

System Generated Number

  • 0043210817

Structure Descriptors

InChI

1S/C46H63N11O13S2/c1-2-3-11-35(44(67)51-22-38(50)61)70-46(69)34-10-7-18-57(34)45(68)33-24-72-71-23-28(47)39(62)53-30(20-26-12-14-27(58)15-13-26)42(65)54-31(19-25-8-5-4-6-9-25)41(64)52-29(16-17-36(48)59)40(63)55-32(21-37(49)60)43(66)56-33/h4-6,8-9,12-15,28-35,58H,2-3,7,10-11,16-24,47H2,1H3,(H2,48,59)(H2,49,60)(H2,50,61)(H,51,67)(H,52,64)(H,53,62)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

KHGPEHMFIJQELN-DZCXQCEKSA-N

Smiles

CCCC[C@H](OC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=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