(2S,3R)-2-Allyl-N~1~-Hydroxy-3-Isobutyl-N~4~-[(2S)-1-(Methylamino)-1-Oxo-3-Phenyl-2-Propanyl]Succinamide

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Properties Simple | Detailed

Formula C21H31N3O4
IUPAC Name (2r,3s)-n-[(1s)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enamide
Molecular Mass 389.489 g·mol−1
Heat of Formation -599.7 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 519.14 Å 3
Surface Area 404.78 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-3-(hydroxycarbamoyl)-2-isobutyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]hex-5-enamide
  • (2r,3s)-3-[(hydroxyamino)-oxomethyl]-2-isobutyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]hex-5-enamide
  • (2r,3s)-n-[(1s)-1-(benzyl)-2-keto-2-methylamino-ethyl]-3-(hydroxycarbamoyl)-2-isobutyl-hex-5-enamide
  • (2s,3r)-n-hydroxy-n'-[(2s)-1-methylamino-1-oxo-3-phenyl-propan-2-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide
  • (2s,3r)-n-hydroxy-n'-[(2s)-1-methylamino-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide
InChIKey GKHRDWHFKKUYAX-KSZLIROESA-N
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