(2S)-2-Amino-N-[2-[[(2R)-2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Propanoyl]Amino]Acetyl]-3-(4-Nitrophenyl)Propanamide

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Properties Simple | Detailed

Formula C23H28N6O7
IUPAC Name (2s)-2-amino-n-[2-[[(2r)-2-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-3-(4-nitrophenyl)propanamide
Molecular Mass 500.504 g·mol−1
Heat of Formation -844.8 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 586.44 Å 3
Surface Area 433.69 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey KQPFZFNYSTYPOV-VMDGZTHMSA-N
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