種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[NH]c2ccc(O)cc21 |
InChI | InChI | 1.03 | InChI=1S/C26H24ClN3O3/c1-30(20-9-7-19(27)8-10-20)26(33)24(13-17-5-3-2-4-6-17)29-25(32)14-18-16-28-23-12-11-21(31)15-22(18)23/h2-12,15-16,24,28,31H,13-14H2,1H3,(H,29,32)/t24-/m0/s1 |
InChIKey | InChI | 1.03 | NPICZGLGMXHEPY-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc2c[nH]c3ccc(O)cc23)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | CN(C(=O)[CH](Cc1ccccc1)NC(=O)Cc2c[nH]c3ccc(O)cc23)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)Cl)C(=O)[C@H](Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1ccc(cc1)Cl)C(=O)C(Cc2ccccc2)NC(=O)Cc3c[nH]c4c3cc(cc4)O |