AC1ND54S
4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: Oprea1_488230|AK-968/37272014|4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid|4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid|4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid|cycloocta[b]thiophene-3-carboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7,8,9-hexahydro-, 3-methyl ester|3-[(11-methoxycarbonyl-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)carbamoyl]propanoic Acid|3-{N-[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[1,2-d]thiophen-2-yl]c arbamoyl}propanoic acid|4-[[3-(METHOXYCARBONYL)-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIEN-2-YL]AMINO]-4-OXOBUTANOIC ACID|4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11404 g/mol |
| LogP | 2.997 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.11404 |
| Monoisotopic Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 607.85693 |
Chemical Identifiers
| CAS Number | 354547-32-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCC(=O)O |
Product Overview
AC1ND54S (CAS 354547-32-3), with molecular formula C16H21NO5S and molecular weight 339.11404 g/mol. IUPAC: 4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid.