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Substance Name: Oxytocin, deamino-(N-Me-leu)(8)-
RN: 71375-93-4
InChIKey: BNBFRAYJXITFNR-UHFFFAOYSA-N

Molecular Weight

  • 1006.21
 
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Names and Synonyms

Name of Substance

  • Oxytocin, deamino-(N-Me-leu)(8)-

Synonyms

  • Deamino-8-(N-Me-leu)-oxytocin
  • Oxytocin, deamino-(N-methylleucine)(8)-

Systematic Name

  • Oxytocin, 1-(3-mercaptopropanoic acid)-8-(N-methyl-L-leucine)-

Registry Numbers

CAS Registry Number

  • 71375-93-4

System Generated Number

  • 0071375934

Structure Descriptors

InChI

1S/C44H67N11O12S2/c1-6-24(4)37-42(65)50-27(13-14-33(45)57)38(61)51-29(20-34(46)58)39(62)52-30(22-69-68-17-15-36(60)49-28(40(63)53-37)19-25-9-11-26(56)12-10-25)43(66)55-16-7-8-31(55)44(67)54(5)32(18-23(2)3)41(64)48-21-35(47)59/h9-12,23-24,27-32,37,56H,6-8,13-22H2,1-5H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,64)(H,49,60)(H,50,65)(H,51,61)(H,52,62)(H,53,63)

InChIKey

BNBFRAYJXITFNR-UHFFFAOYSA-N

Smiles

N1([C@@H](C(=O)N([C@@H](CC(C)C)C(=O)NCC(N)=O)C)CCC1)C([C@@H]1NC([C@@H](NC([C@@H](CCC(N)=O)NC([C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(CCSSC1)=O)[C@@H](CC)C)=O)=O)CC(N)=O)=O)=O