種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3c(ccc(CC1C(NC(C(=O)N1)Cc2ccc(O)cc2)=O)c3)OCO |
InChI | InChI | 1.03 | InChI=1S/C19H20N2O5/c22-11-26-15-7-3-13(4-8-15)10-17-19(25)20-16(18(24)21-17)9-12-1-5-14(23)6-2-12/h1-8,16-17,22-23H,9-11H2,(H,20,25)(H,21,24)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | XYLVFIWANSQWOX-IRXDYDNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCOc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 |
SMILES | CACTVS | 3.385 | OCOc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)OCO)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3)OCO)O |