Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NCC(O)C(N)Cc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](Cc2ccccc2)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)CN[CH](Cc2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H]([C@@H](CN[C@@H](Cc2ccccc2)C(=O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(CNC(Cc2ccccc2)C(=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C19H24N2O3/c20-16(11-14-7-3-1-4-8-14)18(22)13-21-17(19(23)24)12-15-9-5-2-6-10-15/h1-10,16-18,21-22H,11-13,20H2,(H,23,24)/t16-,17-,18+/m0/s1 |
InChIKey | InChI | 1.03 | CZBXMSVQJQIYRS-OKZBNKHCSA-N |