Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN(N)C(=O)CC(O)C(=O)NCCc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1ccccc1 |
SMILES | CACTVS | 3.341 | NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O |
InChI | InChI | 1.03 | InChI=1S/C14H19N3O5/c15-17(9-13(20)21)12(19)8-11(18)14(22)16-7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2,(H,16,22)(H,20,21)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | FAEIAIPIEHOWKC-NSHDSACASA-N |