Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(Cc1ccccc1)CC(O)C(N)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc2ccccc2)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@H](C[C@@H]([C@H](Cc2ccccc2)N)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18+/m1/s1 |
InChIKey | InChI | 1.03 | FXTZKZFWIYSHRP-SQNIBIBYSA-N |