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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(carboxymethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162540-93-4
InChIKey: GZBTUYAWGJLZRH-GWMMUDDPSA-N

Molecular Formula

  • C32-H47-N3-O9

Molecular Weight

  • 617.7353
 
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Names and Synonyms

Synonyms

  • (1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(carboxymethoxy)phenyl)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, 3-((4-(carboxymethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162540-93-4

System Generated Number

  • 0162540934

Structure Descriptors

InChI

1S/C32H47N3O9/c1-31(2,3)43-29(40)34-24(16-21-10-8-7-9-11-21)26(36)18-33-19-27(37)25(35-30(41)44-32(4,5)6)17-22-12-14-23(15-13-22)42-20-28(38)39/h7-15,24-27,33,36-37H,16-20H2,1-6H3,(H,34,40)(H,35,41)(H,38,39)/t24-,25-,26+,27+/m0/s1

InChIKey

GZBTUYAWGJLZRH-GWMMUDDPSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccc(cc2)OCC(=O)O)NC(=O)OC(C)(C)C)O)O