Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2ccccc2 |
SMILES | CACTVS | 3.370 | N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C18H22N2O2/c19-16(11-14-7-3-1-4-8-14)13-20-17(18(21)22)12-15-9-5-2-6-10-15/h1-10,16-17,20H,11-13,19H2,(H,21,22)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | DOVYKTPJUZCUGU-IRXDYDNUSA-N |