Atazanavir

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Properties Simple | Detailed

Formula C38H52N6O7
IUPAC Name methyl n-[(1s)-1-[[(1s,2s)-1-benzyl-2-hydroxy-3-[[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[[4-(2-pyridyl)phenyl]methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 704.855 g·mol−1
Heat of Formation -1111.8 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 888.94 Å 3
Surface Area 635.42 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-(3-{[(2s)-2-(methoxycarbonylamino)-3,3-dimethylbutanoylamino][(4-(2-pyridyl)phenyl)methyl]amino}(1s,2s)-2-hydroxy-1-benzylpropyl)-2-(methoxycarbonylamino)-3,3-dimethylbutanamide
  • (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic acid dimethyl ester
  • 2,5,6,10,13-pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3s,8s,9s,12s)-
  • 2,5,6,10,13-pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-pyridinyl)phenyl)methyl)-, dimethyl ester, (3s-(3r*,8r*,9r*,12r*))-
  • 229975-97-7 (sulfate 1:1)
  • bms 232632
  • dr7
  • methyl [(1s,4s,5s,10s)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate
  • methyl n-[(2s)-1-[[(2s,3s)-3-hydroxy-4-[[[(2s)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]amino]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate
  • n-[(1s)-1-[[(1s,2s)-1-(benzyl)-3-[[[(2s)-2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]amino]-[4-(2-pyridyl)benzyl]amino]-2-hydroxy-propyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid methyl ester
  • reyataz (*1:1 sulfate*)
CAS Number(s)
  • 198904-31-3
InChIKey AXRYRYVKAWYZBR-GASGPIRDSA-N
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