(3S)-3-Hydroxy-4-({(2R)-1-[(3-Methylbutyl)Amino]-1-Oxo-4-Phenyl-2-Butanyl}Amino)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C19H28N2O5
IUPAC Name (3s)-3-hydroxy-4-[[(1r)-1-(isopentylcarbamoyl)-3-phenyl-propyl]amino]-4-oxo-butanoic acid
Molecular Mass 364.436 g·mol−1
Heat of Formation -1023.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 468.52 Å 3
Surface Area 403.65 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.17 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-hydroxy-4-[[(1r)-1-(isoamylcarbamoyl)-3-phenyl-propyl]amino]-4-keto-butyric acid
  • (3s)-3-hydroxy-4-[[(1r)-1-(isopentylcarbamoyl)-3-phenyl-propyl]amino]-4-oxo-butanoic acid
  • (3s)-3-hydroxy-4-[[(1r)-1-[(isopentylamino)-oxomethyl]-3-phenylpropyl]amino]-4-oxobutanoic acid
  • (3s)-3-hydroxy-4-[[(2r)-1-(3-methylbutylamino)-1-oxo-4-phenyl-butan-2-yl]amino]-4-oxo-butanoic acid
  • (3s)-3-hydroxy-4-[[(2r)-1-(3-methylbutylamino)-1-oxo-4-phenylbutan-2-yl]amino]-4-oxobutanoic acid
  • n-[3-carboxy-2-hydroxy-propionyl]-d-homophenylalanyl-amino-2-methylbutane
  • r99
  • wrr-99
InChIKey KVZMXOVSHIMGNA-CVEARBPZSA-N
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