Formula |
C18H25N3O7S |
IUPAC Name |
(2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2s)-2-hydroxy-2-phenyl-ethyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid |
Molecular Mass |
427.472 g·mol−1 |
Heat of Formation |
-1222.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.50 ± 1.08 D |
Volume |
507.83 Å 3 |
Surface Area |
428.2 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
-0.13 ± eV |
Point Group Symmetry |
C1
|
Synonyms
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- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[(2s)-2-hydroxy-2-phenyl-ethyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2s)-2-hydroxy-2-phenyl-ethyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid
- (2s)-2-amino-5-[[(1r)-2-(carboxymethylamino)-1-[[[(2s)-2-hydroxy-2-phenylethyl]thio]methyl]-2-oxoethyl]amino]-5-oxopentanoic acid
- (2s)-2-amino-5-[[(2r)-1-(carboxymethylamino)-3-[(2s)-2-hydroxy-2-phenyl-ethyl]sulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
- gso
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InChIKey |
SZOWFFWYTHGUAW-MELADBBJSA-N |
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Elements |
H
S
C
O
N
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