Formula |
C16H23NO3S |
IUPAC Name |
(2s)-2-[[(2r)-2-benzyl-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid |
Molecular Mass |
309.424 g·mol−1 |
Heat of Formation |
-594.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.64 ± 1.08 D |
Volume |
389.6 Å 3 |
Surface Area |
309.14 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-0.28 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2r)-2-(benzyl)-3-mercapto-propanoyl]amino]-4-methyl-valeric acid
- (2s)-2-[[(2r)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid
- (2s)-4-methyl-2-[[(2r)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]pentanoic acid
- (2s)-4-methyl-2-[[(2r)-2-(phenylmethyl)-3-sulfanylpropanoyl]amino]pentanoic acid
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InChIKey |
PISCFNDSARITBO-KBPBESRZSA-N |
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Links |
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Elements |
H
S
C
O
N
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