Formula |
C14H14N6O4 |
IUPAC Name |
(2s)-2-amino-3-[5-(2-benzyl-3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)-3-hydroxy-isoxazol-4-yl]propanoic acid |
Molecular Mass |
330.299 g·mol−1 |
Heat of Formation |
-10.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.01 ± 1.08 D |
Volume |
363.73 Å 3 |
Surface Area |
299.05 Å 2 |
HOMO Energy |
-10.09 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (2s)-2-amino-3-[3-oxo-5-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-1,2-oxazol-4-yl]propanoic acid
- (2s)-2-amino-3-[3-oxo-5-[2-(phenylmethyl)-5-tetrazolyl]-4-isoxazolyl]propanoic acid
- (2s)-2-amino-3-[3-oxo-5-[2-(phenylmethyl)tetrazol-5-yl]-1,2-oxazol-4-yl]propanoic acid
- (2s)-2-amino-3-[3-oxo-5-[2-(phenylmethyl)tetrazol-5-yl]isoxazol-4-yl]propanoic acid
- (2s)-2-amino-3-[5-[2-(benzyl)tetrazol-5-yl]-3-keto-isoxazol-4-yl]propionic acid
- mp9
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InChIKey |
ZNMNDDBPIVAUGG-JTQLQIEISA-N |
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Links |
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Elements |
H
C
O
N
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