Formula |
C15H16N4O5 |
IUPAC Name |
methyl (2s)-2-[[2-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)acetyl]amino]-3-phenyl-propanoate |
Molecular Mass |
332.311 g·mol−1 |
Heat of Formation |
-289.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.71 ± 1.08 D |
Volume |
387.71 Å 3 |
Surface Area |
325.68 Å 2 |
HOMO Energy |
-9.65 ± 0.55 eV |
LUMO Energy |
-1.27 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester
- (2s)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester
- l-phenylalanine, n-((2-nitro-1h-imidazol-1-yl)acetyl)-, methyl ester
- methyl (2s)-2-[2-(2-nitroimidazol-1-yl)ethanoylamino]-3-phenyl-propanoate
- methyl (2s)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate
- methyl (2s)-2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenylpropanoate
- pk 130
- pk-130
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CAS Number(s) |
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InChIKey |
VQNUUFHSMPUSHU-LBPRGKRZSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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