| PDB CCD ID: | C3M |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H22 N2 O3 S |
| InChI: | InChI=1S/C20H22N2O3S/c21-19(12-15-6-2-1-3-7-15)20(23)14-22-26(24,25)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19-20,22-23H,12,14,21H2/t19-,20+/m0/s1 |
| InChIKey: | QSSWSEQPKCCATQ-VQTJNVASSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | N[C@@H](Cc1ccccc1)[C@H](O)CN[S](=O)(=O)c2ccc3ccccc3c2 | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)CC(C(CNS(=O)(=O)c2ccc3ccccc3c2)O)N | | OpenEye OEToolkits 1.5.0 | c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N | | CACTVS 3.341 | N[CH](Cc1ccccc1)[CH](O)CN[S](=O)(=O)c2ccc3ccccc3c2 | | ACDLabs 10.04 | O=S(=O)(c2cc1ccccc1cc2)NCC(O)C(N)Cc3ccccc3 |
|
| Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE;
INHIBITOR OF THROMBIN |
| ChEMBL: | CHEMBL204086 |
| DrugBank: | DB07522 |
| ZINC: | ZINC000013681950 |
umich.edu