3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)phenylalanyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)phenylalanyl]amino}benzoic acid
3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)phenylalanyl]amino}benzoic acid
Compound characteristics
| Compound ID: | C450-0453 |
| Compound Name: | 3-{[N-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)phenylalanyl]amino}benzoic acid |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C26 H25 N3 O6 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NC(Cc1ccccc1)C(Nc1cccc(c1)C(O)=O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7029 |
| logD: | 0.8171 |
| logSw: | -3.975 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.758 |
| InChI Key: | YGXZCMPDFIROHP-QHCPKHFHSA-N |