| Formula |
C34H35N3O9 |
| IUPAC Name |
2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-carboxy-phenyl]propanedioic acid |
| Molecular Mass |
629.656 g·mol−1 |
| Heat of Formation |
-1483.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.83 ± 1.08 D |
| Volume |
732.72 Å 3 |
| Surface Area |
506.41 Å 2 |
| HOMO Energy |
-9.13 ± 0.55 eV |
| LUMO Energy |
-1.13 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-carboxy-phenyl]malonic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-carboxyphenyl]propanedioic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-carboxy-phenyl]propanedioic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-carboxyphenyl]propanedioic acid
- 2-{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
|
| InChIKey |
CGOGPQNYHFBUEF-NSOVKSMOSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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