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Substance Name: S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione
RN: 129596-89-0
InChIKey: MWWPXANGCUTKTQ-ZJOUEHCJSA-N

Note

  • Major metabolite in the bile of rats administered clebopride.

Molecular Formula

  • C29-H46-N8-O9-S

Molecular Weight

  • 682.7954
 
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Names and Synonyms

Name of Substance

  • S-(2-Ornithylamino-4-methoxy-5-(1'-methyl-4'-piperidylamino)carboxyphenyl)glutathione

Synonyms

  • (14C)Bmcp
  • (S)-N-(S-(2-((2,5-Diamino-1-oxopentyl)amino)-4-methoxy-5-(((1-methyl-4-piperidinyl)amino)carbonyl)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine
  • BMCP

Systematic Name

  • Glycine, N-(S-(2-((2,5-diamino-1-oxopentyl)amino)-4-methoxy-5-(((1-methyl-4-piperidinyl)amino)carbonyl)phenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 129596-89-0

System Generated Number

  • 0129596890

Structure Descriptors

InChI

1S/C29H46N8O9S/c1-37-10-7-16(8-11-37)34-26(42)17-12-23(20(13-22(17)46-2)35-27(43)18(31)4-3-9-30)47-15-21(29(45)33-14-25(40)41)36-28(44)19(32)5-6-24(38)39/h12-13,16,18-19,21H,3-11,14-15,30-32H2,1-2H3,(H,33,45)(H,34,42)(H,35,43)(H,36,44)(H,38,39)(H,40,41)/t18-,19-,21-/m0/s1

InChIKey

MWWPXANGCUTKTQ-ZJOUEHCJSA-N

Smiles

CN1CCC(CC1)NC(=O)c2cc(c(cc2OC)NC(=O)[C@H](CCCN)N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N