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

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Properties Simple | Detailed

Formula C25H33N3O4S
IUPAC Name (2r)-n-[(1s)-1-benzyl-2-(methylamino)-2-oxo-ethyl]-2-[(1s)-2-(hydroxyamino)-2-oxo-1-(phenylsulfanylmethyl)ethyl]-4-methyl-pentanamide
Molecular Mass 471.612 g·mol−1
Heat of Formation -536.0 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 599.09 Å 3
Surface Area 449.8 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(1s)-2-(hydroxyamino)-2-oxo-1-(phenylsulfanylmethyl)ethyl]-4-methyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-2-[(1s)-2-(hydroxyamino)-2-oxo-1-[(phenylthio)methyl]ethyl]-4-methyl-n-[(1s)-2-methylamino-2-oxo-1-(phenylmethyl)ethyl]pentanamide
  • (2r)-n-[(1s)-1-(benzyl)-2-keto-2-methylamino-ethyl]-2-[(1s)-2-(hydroxyamino)-2-keto-1-[(phenylthio)methyl]ethyl]-4-methyl-valeramide
  • (2r-(1(s*),2r*,3s*))-n4-hydroxy-n1-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((phenylthio)methyl)butanediamide
  • (2s,3r)-n-hydroxy-n'-[(2s)-1-methylamino-1-oxo-3-phenyl-propan-2-yl]-3-(2-methylpropyl)-2-(phenylsulfanylmethyl)butanediamide
  • butanediamide, n4-hydroxy-n1-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((phenylthio)methyl)-, (2r-(1(s*),2r*,3s*))-
  • gi 129471
  • gi-129471
CAS Number(s)
  • 130370-59-1
InChIKey UBFGIEDUTRCMEQ-FSSWDIPSSA-N
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