Oprea1_194125
4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: Oprea1_194125|AK-968/12971367|SR-01000113706-1|4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxobutanoic acid|4-((3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-4-oxobutanoic acid|4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid|4H-cyclohepta[b]thiophene-3-carboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-5,6,7,8-tetrahydro-, 3-methyl ester|3-{[3-(METHOXYCARBONYL)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID|4-[[3-(METHOXYCARBONYL)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIEN-2-YL]AMINO]-4-OXOBUTANOIC ACID|4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C15H19NO5S |
|---|---|
| Molecular Weight | 325.0984 g/mol |
| LogP | 2.6069 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.0984 |
| Monoisotopic Mass | 325.0984 |
| Heavy Atoms | 22 |
| Complexity | 592.9984 |
Chemical Identifiers
| CAS Number | 355000-76-9 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCC(=O)O |
Product Overview
Oprea1_194125 (CAS 355000-76-9), with molecular formula C15H19NO5S and molecular weight 325.0984 g/mol. IUPAC: 4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid.