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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3,9-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (3S,4R,8R,9S)-
RN: 161302-38-1
InChIKey: KKRYDPVDJYCEER-QEGGNFSNSA-N

Molecular Formula

  • C30-H45-N3-O6

Molecular Weight

  • 543.7005
 
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Names and Synonyms

Synonyms

  • ((S,R)-3-(((R,S)-3-(((1,1-Dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic acid, 1,1-dimethylethyl ester
  • BMS-182193, BMS-182,193

Systematic Name

  • 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3,9-bis(phenylmethyl)-, 1,1-dimethylethyl ester, (3S,4R,8R,9S)-

Registry Numbers

CAS Registry Number

  • 161302-38-1

System Generated Number

  • 0161302381

Structure Descriptors

InChI

1S/C30H45N3O6/c1-29(2,3)38-27(36)32-23(17-21-13-9-7-10-14-21)25(34)19-31-20-26(35)24(18-22-15-11-8-12-16-22)33-28(37)39-30(4,5)6/h7-16,23-26,31,34-35H,17-20H2,1-6H3,(H,32,36)(H,33,37)/t23-,24-,25+,26+/m0/s1

InChIKey

KKRYDPVDJYCEER-QEGGNFSNSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O