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Substance Name: Oxytocin, deamino-1-carba-
RN: 20576-70-9
InChIKey: UBZUWPDBCILNBN-UHFFFAOYSA-N

Molecular Weight

  • 974.144
 
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Names and Synonyms

Name of Substance

  • Oxytocin, deamino-1-carba-

Synonym

  • Deamino-1-carbaoxytocin

Systematic Name

  • 1-Carbaoxytocin, 1-butanoic acid

Registry Numbers

CAS Registry Number

  • 20576-70-9

System Generated Number

  • 0020576709

Structure Descriptors

InChI

1S/C44H67N11O12S/c1-5-24(4)37-43(66)50-27(14-15-33(45)57)39(62)51-30(20-34(46)58)40(63)53-31(22-68-17-7-9-36(60)49-29(41(64)54-37)19-25-10-12-26(56)13-11-25)44(67)55-16-6-8-32(55)42(65)52-28(18-23(2)3)38(61)48-21-35(47)59/h10-13,23-24,27-32,37,56H,5-9,14-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,62)(H,52,65)(H,53,63)(H,54,64)

InChIKey

UBZUWPDBCILNBN-UHFFFAOYSA-N

Smiles

C1SC[C@@H](NC([C@@H](NC([C@@H](NC(=O)[C@@H](NC([C@@H](NC(CC1)=O)Cc1ccc(cc1)O)=O)[C@@H](CC)C)CCC(N)=O)=O)CC(N)=O)=O)C(=O)N1CCC[C@@H]1C(N[C@@H](C(NCC(N)=O)=O)CC(C)C)=O