Formula |
C14H20N2O3S |
IUPAC Name |
(2r)-2-[[(2s)-2-azaniumyl-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate |
Molecular Mass |
296.385 g·mol−1 |
Heat of Formation |
-519.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.66 ± 1.08 D |
Volume |
367.6 Å 3 |
Surface Area |
296.99 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[[(2s)-2-amino-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid
- (2r)-2-[[(2s)-2-amino-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid
- (2r)-2-[[(2s)-2-amino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid
- (2r)-2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid
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InChIKey |
HGCNKOLVKRAVHD-NWDGAFQWSA-N |
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Elements |
H
S
C
O
N
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