Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN(N)C(=O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[C@H](O)C(=O)N(Cc1ccccc1)Cc2ccccc2 |
SMILES | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN(Cc2ccccc2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(CC(=O)N(CC(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | JGMMFVVACJREFE-KRWDZBQOSA-N |