Benzyl {(3S)-1-[(2S)-1-Amino-1-Oxo-3-Phenyl-2-Propanyl]-2,5-Dioxo-3-Pyrrolidinyl}Carbamate

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Properties Simple | Detailed

Formula C21H21N3O5
IUPAC Name benzyl n-[(3s)-1-[(1s)-2-amino-1-benzyl-2-oxo-ethyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
Molecular Mass 395.409 g·mol−1
Heat of Formation -680.9 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 466.58 Å 3
Surface Area 388.96 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(3s)-1-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,5-dioxo-3-pyrrolidinyl]carbamic acid phenylmethyl ester
  • n-benzyloxycarbonylaminosuccinylphenylalaninamide
  • phenylmethyl n-[(3s)-1-[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
  • phenylmethyl n-[(3s)-1-[(2s)-1-amino-1-oxo-3-phenyl-propan-2-yl]-2,5-dioxo-pyrrolidin-3-yl]carbamate
  • phenylmethyl n-[(3s)-1-[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,5-dioxopyrrolidin-3-yl]carbamate
CAS Number(s)
  • 73537-63-0
InChIKey AFDYSCBKBWIECA-IRXDYDNUSA-N
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