Formula |
C13H21N3O8S |
IUPAC Name |
(2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxypropanoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
379.386 g·mol−1 |
Heat of Formation |
-1471.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.04 ± 1.08 D |
Volume |
433.53 Å 3 |
Surface Area |
383.03 Å 2 |
HOMO Energy |
-9.43 ± 0.55 eV |
LUMO Energy |
-0.80 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2r)-2-hydroxypropanoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2r)-2-hydroxy-1-oxopropyl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2r)-2-hydroxypropanoyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
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InChIKey |
VDYDCVUWILIYQF-CSMHCCOUSA-N |
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Links |
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Elements |
H
S
C
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N
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