Formula |
C18H22N2O5S |
IUPAC Name |
(2r)-2-[1-[(2r)-2-acetamido-2-carboxy-ethyl]sulfanylisoindol-2-yl]-3-methyl-butanoic acid |
Molecular Mass |
378.443 g·mol−1 |
Heat of Formation |
-869.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.69 ± 1.08 D |
Volume |
438.3 Å 3 |
Surface Area |
333.56 Å 2 |
HOMO Energy |
-8.41 ± 0.55 eV |
LUMO Energy |
-0.80 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2r)-2-[1-[(2r)-2-acetamido-3-hydroxy-3-oxo-propyl]sulfanylisoindol-2-yl]-3-methyl-butanoic acid
- (2r)-2-[1-[(2r)-2-acetamido-3-hydroxy-3-oxopropyl]sulfanylisoindol-2-yl]-3-methylbutanoic acid
- (2r)-2-[1-[[(2r)-2-acetamido-3-hydroxy-3-keto-propyl]thio]isoindol-2-yl]-3-methyl-butyric acid
- (2r)-2-[1-[[(2r)-2-acetamido-3-hydroxy-3-oxopropyl]thio]-2-isoindolyl]-3-methylbutanoic acid
- cmpi-accys
- s-(2-(1-carboxy-2-methylpropyl)isoindole-1-yl)-n-acetylcysteine
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CAS Number(s) |
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InChIKey |
DLQUETFHQQTKAC-LSDHHAIUSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
O
N
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