CBMicro_019295
5-[(6-methyl-3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid
Also Known As: CBMicro_019295|Oprea1_281034|BIM-0019222.P001|AK-968/37156067|4-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}butanoic acid|5-[(6-methyl-3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid|5-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-5-oxopentanoic acid|5-{[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-5-oxopentanoic acid|4-{N-[6-methyl-3-(propoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]car bamoyl}butanoic acid
| Molecular Formula | C18H25NO5S |
|---|---|
| Molecular Weight | 367.14536 g/mol |
| LogP | 3.6331 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.14536 |
| Monoisotopic Mass | 367.14536 |
| Heavy Atoms | 25 |
| Complexity | 652.1368 |
Chemical Identifiers
| CAS Number | 5703-55-9 |
|---|---|
| SMILES | CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCC(=O)O |
Product Overview
CBMicro_019295 (CAS 5703-55-9), with molecular formula C18H25NO5S and molecular weight 367.14536 g/mol. IUPAC: 5-[(6-methyl-3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoic acid.
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