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Substance Name: Vasotocin, 1-desamino-oet-tyr(2)-val(4)-orn(8)-
RN: 131483-45-9
InChIKey: WLQJFWPASSMHTA-UHFFFAOYSA-N

Note

  • Vasopressins and oxytocin antagonist.

Molecular Formula

  • C47-H67-N11-O11-S2

Molecular Weight

  • 1026.2443
 
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Names and Synonyms

Name of Substance

  • Vasotocin, 1-desamino-oet-tyr(2)-val(4)-orn(8)-

Synonyms

  • 1-Deamino-2-(oet-tyr)-4-val-8-orn-vasotocin
  • 1-Desamino-2-(O-ethyltyrosyl)-4-valyl-8-ornithine-vasotocin
  • dE-Vvt
  • Vasotocin, 1-desamino-O-ethyltyrosyl(2)-valyl(4)-ornithine(8)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 131483-45-9

System Generated Number

  • 0131483459

Structure Descriptors

InChI

1S/C47H67N11O11S2/c1-4-69-30-16-14-29(15-17-30)23-32-42(63)54-33(22-28-10-6-5-7-11-28)44(65)57-40(27(2)3)46(67)55-34(24-37(49)59)43(64)56-35(26-71-70-21-18-39(61)52-32)47(68)58-20-9-13-36(58)45(66)53-31(12-8-19-48)41(62)51-25-38(50)60/h5-7,10-11,14-17,27,31-36,40H,4,8-9,12-13,18-26,48H2,1-3H3,(H2,49,59)(H2,50,60)(H,51,62)(H,52,61)(H,53,66)(H,54,63)(H,55,67)(H,56,64)(H,57,65)

InChIKey

WLQJFWPASSMHTA-UHFFFAOYSA-N

Smiles

CCOc1ccc(cc1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)N2)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)C)Cc4ccccc4