N-[(2S)-2-Aminopropanoyl]-1-[(4-Nitrobenzoyl)Oxy]-L-Prolinamide

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Properties Simple | Detailed

Formula C15H18N4O6
IUPAC Name [(2s)-2-[[(2s)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate
Molecular Mass 350.327 g·mol−1
Heat of Formation -515.6 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 396.54 Å 3
Surface Area 329.7 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 4-nitrobenzoic acid [(2s)-2-(alanylcarbamoyl)pyrrolidin-1-yl] ester
  • 4-nitrobenzoic acid [(2s)-2-[[[(2s)-2-amino-1-oxopropyl]amino]-oxomethyl]-1-pyrrolidinyl] ester
  • [(2s)-2-[[(2s)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate
  • apnbh
  • l-prolinamide, l-alanyl-n-((4-nitrobenzoyl)oxy)-, (6r-(6alpha,7beta(z)))-
  • n-ala-pro-o-(4-nitrobenzoyl)hydroxylamine
  • n-alanylproline-o-(4-nitrobenzoyl)hydroxylamine
  • n-alanylprolyl-o-(4-nitrobenzoyl)hydroxylamine
CAS Number(s)
  • 87621-00-9
InChIKey KRXQYMAYXLWBAK-CABZTGNLSA-N
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