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

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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 -543.3 ± 16.7 kJ·mol−1
Dipole Moment 8.75 ± 1.08 D
Volume 648.02 Å 3
Surface Area 517.64 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey UGWHKRKREYEJIN-XFAGBWLFSA-N
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