| Formula |
C32H40N4O10S |
| IUPAC Name |
2-[4-[(2s)-2-acetamido-3-[[5-[[(1s)-1-carboxy-3-methylsulfanyl-propyl]amino]-5-oxo-pentyl]amino]-3-oxo-propyl]-2-ethyl-n-oxalo-anilino]benzoic acid |
| Molecular Mass |
672.746 g·mol−1 |
| Heat of Formation |
-1783.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.68 ± 1.08 D |
| Volume |
805.43 Å 3 |
| Surface Area |
636.19 Å 2 |
| HOMO Energy |
-8.52 ± 0.55 eV |
| LUMO Energy |
2.08 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(4-{2-acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-amino]-benzoic acid
- 2-[[4-[(2s)-2-acetamido-3-[[5-[[(1s)-1-carboxy-3-(methylthio)propyl]amino]-5-keto-pentyl]amino]-3-keto-propyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid
- 2-[[4-[(2s)-2-acetamido-3-[[5-[[(1s)-1-carboxy-3-(methylthio)propyl]amino]-5-oxopentyl]amino]-3-oxopropyl]-2-ethylphenyl]-oxaloamino]benzoic acid
- 2-[[4-[(2s)-2-acetamido-3-[[5-[[(1s)-1-carboxy-3-methylsulfanyl-propyl]amino]-5-oxo-pentyl]amino]-3-oxo-propyl]-2-ethyl-phenyl]-oxalo-amino]benzoic acid
- 2-[[4-[(2s)-2-acetamido-3-[[5-[[(2s)-1-hydroxy-4-methylsulfanyl-1-oxo-butan-2-yl]amino]-5-oxo-pentyl]amino]-3-oxo-propyl]-2-ethyl-phenyl]-(carboxycarbonyl)amino]benzoic acid
- 2-[[4-[(2s)-2-acetamido-3-[[5-[[(2s)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-oxopentyl]amino]-3-oxopropyl]-2-ethylphenyl]-oxaloamino]benzoic acid
|
| InChIKey |
JYWLVKREVMTEJA-ZEQRLZLVSA-N |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
|
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