Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3cc(O)c(O)cc3 |
InChI | InChI | 1.03 | InChI=1S/C18H18N2O5/c21-12-4-1-10(2-5-12)7-13-17(24)20-14(18(25)19-13)8-11-3-6-15(22)16(23)9-11/h1-6,9,13-14,21-23H,7-8H2,(H,19,25)(H,20,24)/t13-,14-/m0/s1 |
InChIKey | InChI | 1.03 | OCFXXSJPAMPFJD-KBPBESRZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(O)c3)NC2=O)cc1 |
SMILES | CACTVS | 3.370 | Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(O)c3)NC2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(c(c3)O)O)O |