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Substance Name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-methoxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
RN: 162539-95-9
InChIKey: OQICOQSTWCHGKT-QUAHOIDUSA-N

Molecular Formula

  • C33-H51-N3-O8

Molecular Weight

  • 617.7789
 
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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-methoxyethoxy)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-methoxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-

Registry Numbers

CAS Registry Number

  • 162539-95-9

System Generated Number

  • 0162539959

Structure Descriptors

InChI

1S/C33H51N3O8/c1-32(2,3)43-30(39)35-26(19-23-11-9-8-10-12-23)28(37)21-34-22-29(38)27(36-31(40)44-33(4,5)6)20-24-13-15-25(16-14-24)42-18-17-41-7/h8-16,26-29,34,37-38H,17-22H2,1-7H3,(H,35,39)(H,36,40)/t26-,27-,28+,29+/m0/s1

InChIKey

OQICOQSTWCHGKT-QUAHOIDUSA-N

Smiles

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