Benzyl {(2S)-5-(Carbamoylamino)-1-[(4-Nitrophenyl)Amino]-1-Oxo-2-Pentanyl}Carbamate

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Properties Simple | Detailed

Formula C20H23N5O6
IUPAC Name benzyl n-[(1s)-1-[(4-nitrophenyl)carbamoyl]-4-ureido-butyl]carbamate
Molecular Mass 429.427 g·mol−1
Heat of Formation -590.9 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 497.11 Å 3
Surface Area 457.03 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • benzyl (s)-(4-((aminocarbonyl)amino)-1-(((4-nitrophenyl)amino)carbonyl)butyl)carbamate
  • carbamic acid, (4-((aminocarbonyl)amino)-1-(((4-nitrophenyl)amino)carbonyl)butyl)-, phenylmethyl ester, (s)-
  • n-[(1s)-1-[(4-nitrophenyl)carbamoyl]-4-ureido-butyl]carbamic acid benzyl ester
  • n-[(1s)-1-[[(4-nitrophenyl)amino]-oxomethyl]-4-ureidobutyl]carbamic acid phenylmethyl ester
  • n-benzyloxycarbonylcitrulline 4-nitroanilide
  • phenylmethyl n-[(1s)-1-[(4-nitrophenyl)carbamoyl]-4-ureido-butyl]carbamate
  • phenylmethyl n-[(2s)-5-(aminocarbonylamino)-1-[(4-nitrophenyl)amino]-1-oxo-pentan-2-yl]carbamate
  • phenylmethyl n-[(2s)-5-(carbamoylamino)-1-[(4-nitrophenyl)amino]-1-oxopentan-2-yl]carbamate
CAS Number(s)
  • 83575-37-5
InChIKey HEAHCFJXSKVWFQ-KRWDZBQOSA-N
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