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Substance Name: Vasopressin, deamino(4-thr-8-arg)-
RN: 58928-37-3
InChIKey: CLIPIZUAVXBONL-CWRNHFHWSA-N

Molecular Formula

  • C45-H63-N13-O12-S2

Molecular Weight

  • 1042.2037
 
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Names and Synonyms

Name of Substance

  • Vasopressin, deamino(4-thr-8-arg)-

Synonyms

  • Deamino(4-thr-8-arg)vasopressin
  • Deamino(4-threonine,8-D-arginine)vasopressin
  • Deamino(4-threonine-8-arginine)vasopressin
  • Vasopressin, deamino(4-threonine-8-arginine)-

Systematic Name

  • Vasopressin, 1-(3-mercaptopropanoic acid)-4-L-threonine-8-D-arginine-

Registry Numbers

CAS Registry Number

  • 58928-37-3

System Generated Number

  • 0058928373

Structure Descriptors

InChI

1S/C45H63N13O12S2/c1-24(59)37-43(69)55-31(21-34(46)61)40(66)56-32(44(70)58-17-6-10-33(58)42(68)53-28(9-5-16-50-45(48)49)38(64)51-22-35(47)62)23-72-71-18-15-36(63)52-29(20-26-11-13-27(60)14-12-26)39(65)54-30(41(67)57-37)19-25-7-3-2-4-8-25/h2-4,7-8,11-14,24,28-33,37,59-60H,5-6,9-10,15-23H2,1H3,(H2,46,61)(H2,47,62)(H,51,64)(H,52,63)(H,53,68)(H,54,65)(H,55,69)(H,56,66)(H,57,67)(H4,48,49,50)/t24-,28+,29+,30+,31+,32+,33+,37+/m1/s1

InChIKey

CLIPIZUAVXBONL-CWRNHFHWSA-N

Smiles

C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(=O)N)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N