Formula |
C13H19N3O8S |
IUPAC Name |
(2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(2-oxopropanoylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
377.370 g·mol−1 |
Heat of Formation |
-1470.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.32 ± 1.08 D |
Volume |
412.48 Å 3 |
Surface Area |
362.23 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
1.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[(1,2-dioxopropylthio)methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-keto-1-[(pyruvoylthio)methyl]ethyl]amino]-5-keto-valeric acid
- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-2-oxo-1-(2-oxopropanoylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-1-oxo-3-(2-oxopropanoylsulfanyl)propan-2-yl]amino]-5-oxo-pentanoic acid
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InChIKey |
PPLZFKVEEDKGDM-YUMQZZPRSA-N |
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Links |
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Elements |
H
S
C
O
N
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