Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3cnc4ccccc34 |
InChI | InChI | 1.03 | InChI=1S/C20H19N3O3/c24-14-7-5-12(6-8-14)9-17-19(25)23-18(20(26)22-17)10-13-11-21-16-4-2-1-3-15(13)16/h1-8,11,17-18,21,24H,9-10H2,(H,22,26)(H,23,25)/t17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | ZJDMXAAEAVGGSK-ROUUACIJSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |
SMILES | CACTVS | 3.370 | Oc1ccc(C[CH]2NC(=O)[CH](Cc3c[nH]c4ccccc34)NC2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)CC3C(=O)NC(C(=O)N3)Cc4ccc(cc4)O |