N-[(2S,3R)-4-(Cyclohexylamino)-3-Hydroxy-1-Phenyl-2-Butanyl]-3-(Ethylamino)-5-(2-Oxo-1-Pyrrolidinyl)Benzamide

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Properties Simple | Detailed

Formula C29H40N4O3
IUPAC Name n-[(1s,2r)-1-benzyl-3-(cyclohexylamino)-2-hydroxy-propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
Molecular Mass 492.653 g·mol−1
Heat of Formation -510.3 ± 16.7 kJ·mol−1
Dipole Moment 1.25 ± 1.08 D
Volume 605.27 Å 3
Surface Area 500.47 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 2.98 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s,2r)-1-(benzyl)-3-(cyclohexylamino)-2-hydroxy-propyl]-3-ethylamino-5-(2-ketopyrrolidin-1-yl)benzamide
  • n-[(1s,2r)-3-(cyclohexylamino)-2-hydroxy-1-(phenylmethyl)propyl]-3-ethylamino-5-(2-oxo-1-pyrrolidinyl)benzamide
  • n-[(1s,2r)-3-(cyclohexylamino)-2-hydroxy-1-(phenylmethyl)propyl]-3-ethylamino-5-(2-oxopyrrolidin-1-yl)benzamide
  • n-[(2s,3r)-4-(cyclohexylamino)-3-hydroxy-1-phenyl-butan-2-yl]-3-ethylamino-5-(2-oxopyrrolidin-1-yl)benzamide
InChIKey PVDHVIVUNLQJLY-RRPNLBNLSA-N
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