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Substance Name: Atazanavir metabolite M13
RN: 1463472-89-0
UNII: 66618465IO
InChIKey: PGALKLDIEXFBCO-GASGPIRDSA-N

Molecular Formula

  • C38-H50-N6-O8

Molecular Weight

  • 718.847
 
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Names and Synonyms

Results Name

  • Atazanavir metabolite M13

Name of Substance

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-(1,1-dimethyl-2-oxoethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, 1,14-dimethyl ester, (3S,8S,9S,12S)-

Synonyms

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-12-(1,1-dimethyl-2-oxoethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, 1,14-dimethyl ester, (3S,8S,9S,12S)-
  • Atazanavir metabolite M13
  • UNII-66618465IO

Registry Numbers

CAS Registry Number

  • 1463472-89-0

FDA UNII

  • 66618465IO

System Generated Number

  • 1463472890

Structure Descriptors

InChI

1S/C38H50N6O8/c1-37(2,3)31(41-35(49)51-6)34(48)43-44(22-26-16-18-27(19-17-26)28-15-11-12-20-39-28)23-30(46)29(21-25-13-9-8-10-14-25)40-33(47)32(38(4,5)24-45)42-36(50)52-7/h8-20,24,29-32,46H,21-23H2,1-7H3,(H,40,47)(H,41,49)(H,42,50)(H,43,48)/t29-,30-,31+,32+/m0/s1

InChIKey

PGALKLDIEXFBCO-GASGPIRDSA-N

Smiles

CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C=O)NC(=O)OC)O)NC(=O)OC