N-(2-Aminobenzoyl)-L-Alanyl-N-{(2S)-2-[(4-Nitrophenyl)Amino]-3-Phenylpropanoyl}-L-Alaninamide

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Properties Simple | Detailed

Formula C28H30N6O6
IUPAC Name 2-amino-n-[(1s)-1-methyl-2-[[(1s)-1-methyl-2-[[(2s)-2-(4-nitroanilino)-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide
Molecular Mass 546.574 g·mol−1
Heat of Formation -571.1 ± 16.7 kJ·mol−1
Dipole Moment 14.23 ± 1.08 D
Volume 637.8 Å 3
Surface Area 516.16 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-n-[(1s)-1-methyl-2-[[(1s)-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]-1-oxo-3-phenylpropyl]amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
  • 2-amino-n-[(1s)-1-methyl-2-[[(1s)-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]-3-phenyl-propanoyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]benzamide
  • 2-amino-n-[(1s)-2-keto-2-[[(1s)-2-keto-1-methyl-2-[[(2s)-2-[(4-nitrophenyl)amino]-3-phenyl-propanoyl]amino]ethyl]amino]-1-methyl-ethyl]benzamide
  • 2-amino-n-[(2s)-1-[[(2s)-1-[[(2s)-2-[(4-nitrophenyl)amino]-3-phenyl-propanoyl]amino]-1-oxo-propan-2-yl]amino]-1-oxo-propan-2-yl]benzamide
  • 2-amino-n-[(2s)-1-[[(2s)-1-[[(2s)-2-[(4-nitrophenyl)amino]-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
  • ant-ala-ala-phe-4na
  • n-anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide
CAS Number(s)
  • 115664-72-7
InChIKey IVCMNEDRMAEVDD-XFAGBWLFSA-N
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DOI
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