Nalpha-[(Benzyloxy)Carbonyl]-N-[(3S)-1-(Benzylsulfonyl)-5-Phenyl-3-Pentanyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C35H38N2O5S
IUPAC Name benzyl n-[(1s)-1-benzyl-2-[[(1s)-1-(2-benzylsulfonylethyl)-3-phenyl-propyl]amino]-2-oxo-ethyl]carbamate
Molecular Mass 598.752 g·mol−1
Heat of Formation -650.7 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 742.4 Å 3
Surface Area 505.03 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[n-[benzyloxycarbonyl]-phenylalaninyl-amino]-5-phenyl-pentane-1-sulfonylmethylbenzene
  • n-[(1s)-1-(benzyl)-2-[[(1s)-1-[2-(benzylsulfonyl)ethyl]-3-phenyl-propyl]amino]-2-keto-ethyl]carbamic acid benzyl ester
  • n-[(1s)-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-(phenylmethylsulfonyl)propyl]amino]-1-(phenylmethyl)ethyl]carbamic acid phenylmethyl ester
  • phenylmethyl n-[(1s)-2-oxo-2-[[(1s)-1-(2-phenylethyl)-3-(phenylmethylsulfonyl)propyl]amino]-1-(phenylmethyl)ethyl]carbamate
  • phenylmethyl n-[(2s)-1-oxo-3-phenyl-1-[[(3s)-1-phenyl-5-(phenylmethylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamate
  • vs2
InChIKey VXIINIMESJGNGI-LQJZCPKCSA-N
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