Formula |
C38H38N3O9P |
IUPAC Name |
(2s)-2-[[(2r)-2-[[[(1r)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
Molecular Mass |
711.697 g·mol−1 |
Heat of Formation |
-1284.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.47 ± 1.08 D |
Volume |
825.39 Å 3 |
Surface Area |
567.36 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-0.30 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2r)-2-[[[(1r)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid
- (2s)-2-[[(2r)-2-[[hydroxy-[(1r)-1-[[oxo-(phenylmethoxy)methyl]amino]-2-phenylethyl]phosphoryl]methyl]-1-oxo-3-(3-phenyl-5-isoxazolyl)propyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2r)-2-[[hydroxy-[(1r)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(3-phenyl-1,2-oxazol-5-yl)propanoyl]amino]propanoic acid
- (2s)-3-(4-hydroxyphenyl)-2-[[(2r)-2-[[hydroxy-[(1r)-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]propanoic acid
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InChIKey |
ZPFSKFCSVXPMBD-PFESQZPFSA-N |
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Elements |
P
C
H
O
N
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