Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CC(=O)NCC(=O)NCCCCC(N)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCCNC(=O)CNC(=O)C=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CCCCNC(=O)CNC(=O)C=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCNC(=O)CNC(=O)C=O)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCNC(=O)CNC(=O)C=O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H17N3O5/c11-7(10(17)18)3-1-2-4-12-8(15)5-13-9(16)6-14/h6-7H,1-5,11H2,(H,12,15)(H,13,16)(H,17,18)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | JGTOTYLLHQQHPV-ZETCQYMHSA-N |