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Substance Name: Oxytocin, his(4)-
RN: 57735-87-2
InChIKey: JEIFLSQIUAZMQV-DWYJUVHDSA-N

Molecular Formula

  • C44-H66-N13-O11-S2

Molecular Weight

  • 1016.2095
 
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Names and Synonyms

Name of Substance

  • Oxytocin, his(4)-

Synonyms

  • 4-His-oxytocin
  • Oxytocin, histidine(4)-

Systematic Name

  • Oxytoxin, 4-L-histidine-

Registry Numbers

CAS Registry Number

  • 57735-87-2

System Generated Number

  • 0057735872

Structure Descriptors

InChI

1S/C44H65N13O11S2/c1-5-23(4)36-43(67)54-30(15-25-17-48-21-50-25)39(63)52-31(16-34(46)59)40(64)55-32(20-70-69-19-27(45)37(61)51-29(41(65)56-36)14-24-8-10-26(58)11-9-24)44(68)57-12-6-7-33(57)42(66)53-28(13-22(2)3)38(62)49-18-35(47)60/h8-11,17,21-23,27-33,36,58H,5-7,12-16,18-20,45H2,1-4H3,(H2,46,59)(H2,47,60)(H,48,50)(H,49,62)(H,51,61)(H,52,63)(H,53,66)(H,54,67)(H,55,64)(H,56,65)/t23-,27-,28-,29-,30-,31-,32-,33-,36-/m0/s1

InChIKey

JEIFLSQIUAZMQV-DWYJUVHDSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc3cnc[nH]3)NC1=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N