N-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoyl]-L-tryptophan
Chemical Structure Depiction of
N-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoyl]-L-tryptophan
N-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoyl]-L-tryptophan
Compound characteristics
| Compound ID: | Y043-5142 |
| Compound Name: | N-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanoyl]-L-tryptophan |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | C(CC(N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1006 |
| logD: | -2.49 |
| logSw: | -2.2683 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.986 |
| InChI Key: | KWBWGGDPKRRIIR-SFHVURJKSA-N |