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Substance Name: PD 132002
RN: 134452-04-3
InChIKey: KVWIDDBNLMCWAT-QSKQZBQPSA-N

Molecular Formula

  • C31-H50-N4-O9-S

Molecular Weight

  • 654.821
 
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Names and Synonyms

Name of Substance

  • PD 132002

Synonyms

  • (1S-(1R*,2S*,3R*))-N-(4-Morpholinylsulfonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-O-methyl-3-oxo-L-serinamide
  • 3-((1-(Cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)amino)-N-(N-(4-morpholinosulfonyl)phenylalanyl)-3-oxo-DL-alanine methyl ester
  • PD-132002

Systematic Name

  • L-Serinamide, N-(4-morpholinylsulfonyl)-L-phenylalanyl-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-O-methyl-3-oxo-, (1S-(1R*,2S*,3R*))-

Registry Numbers

CAS Registry Number

  • 134452-04-3

System Generated Number

  • 0134452043

Structure Descriptors

InChI

1S/C31H50N4O9S/c1-21(2)18-26(36)28(37)24(19-22-10-6-4-7-11-22)32-27(31(40)43-3)30(39)33-29(38)25(20-23-12-8-5-9-13-23)34-45(41,42)35-14-16-44-17-15-35/h5,8-9,12-13,21-22,24-28,32,34,36-37H,4,6-7,10-11,14-20H2,1-3H3,(H,33,38,39)/t24-,25-,26-,27+,28?/m0/s1

InChIKey

KVWIDDBNLMCWAT-QSKQZBQPSA-N

Smiles

C([C@@H](N[C@H]([C@@H]([C@H](CC(C)C)O)O)CC1CCCCC1)C(OC)=O)(=O)NC([C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)=O