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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((2-hydroxyphenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162540-97-8
InChIKey: WAQDMMDIFOJGCP-IHBRBHLJSA-N

Molecular Formula

  • C30-H45-N3-O7

Molecular Weight

  • 559.6995
 
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Names and Synonyms

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(2-hydroxyphenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester
  • Phe Aminodiol isostere

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 162540-97-8

System Generated Number

  • 0162540978

Structure Descriptors

InChI

1S/C30H45N3O7/c1-29(2,3)39-27(37)32-22(16-20-12-8-7-9-13-20)25(35)18-31-19-26(36)23(33-28(38)40-30(4,5)6)17-21-14-10-11-15-24(21)34/h7-15,22-23,25-26,31,34-36H,16-19H2,1-6H3,(H,32,37)(H,33,38)/t22-,23-,25+,26+/m0/s1

InChIKey

WAQDMMDIFOJGCP-IHBRBHLJSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2O)NC(=O)OC(C)(C)C)O)O