N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-Oxo-2-Propanyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]-3-[(Methylsulfonyl)(Phenyl)Amino]Benzamide

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Properties Simple | Detailed

Formula C33H42N4O5S
IUPAC Name n-[(1s,2r)-1-benzyl-3-[[(1s)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-propyl]-3-(n-methylsulfonylanilino)benzamide
Molecular Mass 606.775 g·mol−1
Heat of Formation -717.3 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 750.3 Å 3
Surface Area 596.67 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-1-(benzyl)-3-[[(1s)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]amino]-2-hydroxy-propyl]-3-(mesyl-phenyl-amino)benzamide
  • n-[(1s,2r)-3-[[(1s)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(methylsulfonyl-phenyl-amino)benzamide
  • n-[(1s,2r)-3-[[(1s)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(methylsulfonyl-phenylamino)benzamide
  • n-[(2s,3r)-4-[[(2s)-1-(cyclohexylamino)-1-oxo-propan-2-yl]amino]-3-hydroxy-1-phenyl-butan-2-yl]-3-(methylsulfonyl-phenyl-amino)benzamide
InChIKey PSSKPAZTPVDDNS-RJSONGRPSA-N
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