種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CC(=O)N(c1ccc(cc1)n1cccc1)C(c1cccnc1)C(=O)NC(C)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C27H26N4O2/c1-20(22-9-4-3-5-10-22)29-27(33)26(23-11-8-16-28-19-23)31(21(2)32)25-14-12-24(13-15-25)30-17-6-7-18-30/h3-20,26H,1-2H3,(H,29,33)/t20-,26+/m0/s1 |
InChIKey | InChI | 1.03 | JHNKYRWLHFZNLP-RXFWQSSRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(=O)[C@H](N(C(C)=O)c1ccc(cc1)n2cccc2)c3cccnc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH](N(C(C)=O)c1ccc(cc1)n2cccc2)c3cccnc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1ccccc1)NC(=O)[C@@H](c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)NC(=O)C(c2cccnc2)N(c3ccc(cc3)n4cccc4)C(=O)C |