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Substance Name: Vasopressin, 8-l-lysine-, monoacetate (salt)
RN: 83968-49-4
InChIKey: NKWAIKZITYLOMT-DHSVNZEYSA-N

Molecular Formula

  • C46-H65-N13-O12-S2.C2-H4-O2

Molecular Weight

  • 1116.2821
 
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Names and Synonyms

Synonym

  • EINECS 281-529-6

Systematic Name

  • Vasopressin, 8-l-lysine-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 83968-49-4

System Generated Number

  • 0083968494

Molecular Formulas

Molecular Formula

  • C46-H65-N13-O12-S2.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C46-H65-N13-O12-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C46H65N13O12S2.C2H4O2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34;1-2(3)4/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69);1H3,(H,3,4)/t28-,29-,30-,31-,32-,33-,34-,35-;/m0./s1

InChIKey

NKWAIKZITYLOMT-DHSVNZEYSA-N

Smiles

CC(=O)O.c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N