Formula |
C32H33N3O6 |
IUPAC Name |
4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formyl-benzoic acid |
Molecular Mass |
555.621 g·mol−1 |
Heat of Formation |
-884.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.80 ± 1.08 D |
Volume |
651.04 Å 3 |
Surface Area |
470.74 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-1.40 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-formyl-benzoic acid
- 4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-formylbenzoic acid
- 4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formyl-benzoic acid
- 4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-formylbenzoic acid
- 4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-methanoyl-benzoic acid
- 4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-formyl-benzoic acid
- ru82197
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InChIKey |
WKTQBTSOHBKBRW-VMPREFPWSA-N |
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Elements |
H
C
O
N
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