Formula |
C30H29N4O5P |
IUPAC Name |
[(2s)-3-[[(1s)-2-amino-1-(indol-1-ium-3-id-3-ylmethyl)-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid |
Molecular Mass |
556.549 g·mol−1 |
Heat of Formation |
-522.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.36 ± 1.08 D |
Volume |
659.77 Å 3 |
Surface Area |
488.09 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5mr
- [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-keto-ethyl]amino]-3-keto-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
- [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-oxo-ethyl]amino]-3-oxo-2-[(3-phenylisoxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
- [(2s)-3-[[(1s)-2-amino-1-(1h-indol-3-ylmethyl)-2-oxoethyl]amino]-3-oxo-2-[(3-phenyl-5-isoxazolyl)methyl]propyl]-phenylphosphinic acid
- [(2s)-3-[[(2s)-1-amino-3-(1h-indol-3-yl)-1-oxo-propan-2-yl]amino]-3-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propyl]-phenyl-phosphinic acid
- [(2s)-3-[[(2s)-1-amino-3-(1h-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxo-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propyl]-phenylphosphinic acid
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InChIKey |
NVKXUGMYWINPEL-DFHRPNOPSA-N |
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Elements |
P
C
H
O
N
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