Formula |
C32H36N3O9P |
IUPAC Name |
2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphono-phenoxy]acetic acid |
Molecular Mass |
637.617 g·mol−1 |
Heat of Formation |
-1689.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.77 ± 1.08 D |
Volume |
733.11 Å 3 |
Surface Area |
512.87 Å 2 |
HOMO Energy |
-8.96 ± 0.55 eV |
LUMO Energy |
-0.36 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[4-[(2s)-2-acetamido-3-keto-3-[[(3s)-2-keto-1-(4-phenylbenzyl)azepan-3-yl]amino]propyl]-2-phosphono-phenoxy]acetic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]-3-azepanyl]amino]propyl]-2-phosphonophenoxy]acetic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphono-phenoxy]acetic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphono-phenoxy]ethanoic acid
- 2-[4-[(2s)-2-acetamido-3-oxo-3-[[(3s)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]propyl]-2-phosphonophenoxy]acetic acid
- ru85493
- {4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid
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InChIKey |
MWEWSHNGVWABKG-SVBPBHIXSA-N |
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Elements |
P
C
H
O
N
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