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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162539-80-2
InChIKey: IAXLWGCXGGUUOU-YVHASNINSA-N

Molecular Formula

  • C32-H49-N3-O8

Molecular Weight

  • 603.7521
 
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Names and Synonyms

Synonyms

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

Registry Numbers

CAS Registry Number

  • 162539-80-2

System Generated Number

  • 0162539802

Structure Descriptors

InChI

1S/C32H49N3O8/c1-31(2,3)42-29(39)34-25(18-22-10-8-7-9-11-22)27(37)20-33-21-28(38)26(35-30(40)43-32(4,5)6)19-23-12-14-24(15-13-23)41-17-16-36/h7-15,25-28,33,36-38H,16-21H2,1-6H3,(H,34,39)(H,35,40)/t25-,26-,27+,28+/m0/s1

InChIKey

IAXLWGCXGGUUOU-YVHASNINSA-N

Smiles

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