Formula |
C13H21N3O6S |
IUPAC Name |
(2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyallyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid |
Molecular Mass |
347.387 g·mol−1 |
Heat of Formation |
-1091.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.81 ± 1.08 D |
Volume |
414.53 Å 3 |
Surface Area |
378.0 Å 2 |
HOMO Energy |
-9.17 ± 0.55 eV |
LUMO Energy |
2.44 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[[(2r)-2-[[(5s)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-3-mercapto-propanoyl]amino]but-3-enoic acid
- (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyprop-2-enyl]amino]-1-(mercaptomethyl)-2-oxoethyl]amino]-6-oxohexanoic acid
- (2s)-2-amino-6-[[(1r)-2-[[(1r)-1-carboxyprop-2-enyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(2r)-1-[[(2r)-1-hydroxy-1-oxo-but-3-en-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid
- (2s)-2-amino-6-[[(2r)-1-[[(2r)-1-hydroxy-1-oxobut-3-en-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid
- delta-(l-alpha-aminoadipoyl)-l-cysteinyl-d-vinylglycine
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InChIKey |
JJJCGQKXGIRXKN-YIZRAAEISA-N |
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Elements |
H
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