Formula |
C33H33N3O6 |
IUPAC Name |
2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formyl-phenyl]acetic acid |
Molecular Mass |
567.632 g·mol−1 |
Heat of Formation |
-819.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.34 ± 1.08 D |
Volume |
682.81 Å 3 |
Surface Area |
461.2 Å 2 |
HOMO Energy |
-9.05 ± 0.55 eV |
LUMO Energy |
2.06 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[(z)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]prop-1-enyl]-2-formyl-phenyl]acetic acid
- 2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]prop-1-enyl]-2-formylphenyl]acetic acid
- 2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formyl-phenyl]acetic acid
- 2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid
- 2-[4-[(z)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-methanoyl-phenyl]ethanoic acid
- [4-((1z)-2-(acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acetic acid
- ru82129
|
InChIKey |
NKMPOVPTYDXGEC-MNRBYUMSSA-N |
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Elements |
H
C
O
N
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