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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxy-2-methylpropoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162541-04-0
InChIKey: IWDXCNVEWVCNBM-QUAHOIDUSA-N

Molecular Formula

  • C34-H53-N3-O8

Molecular Weight

  • 631.8057
 
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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-hydroxy-2-methylpropoxy)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-hydroxy-2-methylpropoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162541-04-0

System Generated Number

  • 0162541040

Structure Descriptors

InChI

1S/C34H53N3O8/c1-32(2,3)44-30(40)36-26(18-23-12-10-9-11-13-23)28(38)20-35-21-29(39)27(37-31(41)45-33(4,5)6)19-24-14-16-25(17-15-24)43-22-34(7,8)42/h9-17,26-29,35,38-39,42H,18-22H2,1-8H3,(H,36,40)(H,37,41)/t26-,27-,28+,29+/m0/s1

InChIKey

IWDXCNVEWVCNBM-QUAHOIDUSA-N

Smiles

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