種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5 |
InChI | InChI | 1.03 | InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1 |
InChIKey | InChI | 1.03 | RYGJIKURQDMMQZ-YUDQIZAISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)[C@H](N(C(=O)c1occc1)c2ccc(cc2)c3ccccc3)c4cccnc4)c5ccccc5 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](N(C(=O)c1occc1)c2ccc(cc2)c3ccccc3)c4cccnc4)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)c4ccccc4)C(=O)c5ccco5 |