種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | N(C(CC(c1onc(n1)Cc2cc3c(cc2)OCO3)CC4CCCC4)=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H23N3O5/c23-18(21-24)10-14(7-12-3-1-2-4-12)19-20-17(22-27-19)9-13-5-6-15-16(8-13)26-11-25-15/h5-6,8,12,14,24H,1-4,7,9-11H2,(H,21,23)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | XOZSWEYBEQSKBV-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)C[C@@H](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2 |
SMILES | CACTVS | 3.385 | ONC(=O)C[CH](CC1CCCC1)c2onc(Cc3ccc4OCOc4c3)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cc3nc(on3)C(CC4CCCC4)CC(=O)NO)OCO2 |