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Substance Name: Carbamic acid, (1-(cyanomethyl)-2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-2-oxoethyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-
RN: 127749-98-8
InChIKey: VKZMULLAGUUFSH-LAJGZZDBSA-N

Molecular Formula

  • C32-H43-N5-O5

Molecular Weight

  • 577.7217
 
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Names and Synonyms

Synonyms

  • 1-(BenzyloxycarbonylcyanoalanyldecarbonylPhe(hydroxyethyl))-2-(N-tertbutylcarbamoyl)piperidine
  • BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu

Systematic Name

  • Carbamic acid, (1-(cyanomethyl)-2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-2-oxoethyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-

Registry Numbers

CAS Registry Number

  • 127749-98-8

System Generated Number

  • 0127749988

Structure Descriptors

InChI

1S/C32H43N5O5/c1-32(2,3)36-30(40)27-16-10-11-19-37(27)21-28(38)26(20-23-12-6-4-7-13-23)34-29(39)25(17-18-33)35-31(41)42-22-24-14-8-5-9-15-24/h4-9,12-15,25-28,38H,10-11,16-17,19-22H2,1-3H3,(H,34,39)(H,35,41)(H,36,40)/t25-,26-,27-,28+/m0/s1

InChIKey

VKZMULLAGUUFSH-LAJGZZDBSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC#N)NC(=O)OCc3ccccc3)O