Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)OCC(C(=O)O)N)CCC1)C2N(C(=O)O)CCC2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](COC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(O)=O)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](COC(=O)[CH]1CCCN1C(=O)[CH]2CCCN2C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)O)C(=O)OC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(N(C1)C(=O)C2CCCN2C(=O)O)C(=O)OCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C14H21N3O7/c15-8(12(19)20)7-24-13(21)10-4-2-5-16(10)11(18)9-3-1-6-17(9)14(22)23/h8-10H,1-7,15H2,(H,19,20)(H,22,23)/t8-,9-,10-/m0/s1 |
InChIKey | InChI | 1.03 | XVGHKAKDPMMTJO-GUBZILKMSA-N |