Formula |
C17H25N3O4 |
IUPAC Name |
(2s)-2-[[2-[[(2r)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid |
Molecular Mass |
335.398 g·mol−1 |
Heat of Formation |
-722.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.21 ± 1.08 D |
Volume |
430.58 Å 3 |
Surface Area |
358.19 Å 2 |
HOMO Energy |
-9.61 ± 0.55 eV |
LUMO Energy |
0.05 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[2-[[(2r)-2-azaniumyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoate
- (2s)-2-[[2-[[(2r)-2-ammonio-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-phenylpropanoate
- (2s)-2-[[2-[[(2r)-2-ammonio-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propionate
- (2s)-2-[[2-[[(2r)-2-azaniumyl-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoate
- (2s)-2-[[2-[[(2r)-2-azaniumyl-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoate
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InChIKey |
KEVYYIMVELOXCT-KGLIPLIRSA-N |
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Links |
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Elements |
H
C
O
N
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