Formula |
C33H35N3O7 |
IUPAC Name |
5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-(carboxymethyl)benzoic acid |
Molecular Mass |
585.647 g·mol−1 |
Heat of Formation |
-1167.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.63 ± 1.08 D |
Volume |
688.21 Å 3 |
Surface Area |
474.83 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
-1.00 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-(carboxymethyl)benzoic acid
- 5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-(carboxymethyl)benzoic acid
- 5-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-(carboxymethyl)benzoic acid
- 5-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxymethyl-benzoic acid
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InChIKey |
CEKLBQMULVLLTD-VMPREFPWSA-N |
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Links |
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Downloads |
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Elements |
H
C
O
N
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