種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C(N3c2cc(O)c1c(C(=O)C(C(=O)OC)(N1)C)c2C(C)C3)c5cc4cc(OC)c(OC)c(OC)c4n5 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@]1(C)Nc2c(O)cc3N(C[C@@H](C)c3c2C1=O)C(=O)c4[nH]c5c(c4)cc(OC)c(OC)c5OC |
SMILES | CACTVS | 3.341 | COC(=O)[C]1(C)Nc2c(O)cc3N(C[CH](C)c3c2C1=O)C(=O)c4[nH]c5c(c4)cc(OC)c(OC)c5OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1CN(c2c1c3c(c(c2)O)N[C@@](C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1CN(c2c1c3c(c(c2)O)NC(C3=O)(C)C(=O)OC)C(=O)c4cc5cc(c(c(c5[nH]4)OC)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C26H27N3O8/c1-11-10-29(14-9-15(30)20-18(17(11)14)23(31)26(2,28-20)25(33)37-6)24(32)13-7-12-8-16(34-3)21(35-4)22(36-5)19(12)27-13/h7-9,11,27-28,30H,10H2,1-6H3/t11-,26-/m1/s1 |
InChIKey | InChI | 1.03 | WQAYQZWERWNDPV-RPHGYIDUSA-N |