Formula |
C13H21N3O8S |
IUPAC Name |
(2s)-2-[[(2r)-2-[[(4s)-4-amino-4-carboxy-butanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid |
Molecular Mass |
379.386 g·mol−1 |
Heat of Formation |
-1543.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.76 ± 1.08 D |
Volume |
433.88 Å 3 |
Surface Area |
384.31 Å 2 |
HOMO Energy |
-9.20 ± 0.55 eV |
LUMO Energy |
-0.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]pentanedioic acid
- (2s)-2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]glutaric acid
- (2s)-2-[[(2r)-2-[[(4s)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]pentanedioic acid
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InChIKey |
VTCVNZKPGDAGGZ-FXQIFTODSA-N |
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Links |
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Elements |
H
S
C
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N
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