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Substance Name: Oxytocin, penicillamine(1)-
RN: 6592-93-4
InChIKey: UGTRJJZQLVHLJP-HYPKMYQESA-N

Note

  • An oxytocin antagonist.

Molecular Formula

  • C45-H70-N12-O12-S2

Molecular Weight

  • 1035.252
 
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Names and Synonyms

Name of Substance

  • Oxytocin, penicillamine(1)-

Synonym

  • 1-Penicillamine-oxytocin

Systematic Name

  • Oxytocin, 1-(3-mercapto-L-valine)-

Registry Numbers

CAS Registry Number

  • 6592-93-4

System Generated Number

  • 0006592934

Structure Descriptors

InChI

1S/C45H70N12O12S2/c1-7-23(4)35-42(67)51-26(14-15-32(46)59)38(63)52-29(19-33(47)60)39(64)55-30(44(69)57-16-8-9-31(57)41(66)53-27(17-22(2)3)37(62)50-20-34(48)61)21-70-71-45(5,6)36(49)43(68)54-28(40(65)56-35)18-24-10-12-25(58)13-11-24/h10-13,22-23,26-31,35-36,58H,7-9,14-21,49H2,1-6H3,(H2,46,59)(H2,47,60)(H2,48,61)(H,50,62)(H,51,67)(H,52,63)(H,53,66)(H,54,68)(H,55,64)(H,56,65)/t23-,26-,27-,28-,29-,30-,31-,35-,36+/m0/s1

InChIKey

UGTRJJZQLVHLJP-HYPKMYQESA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)C(C)(C)SSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N