Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NCCCCC(C(=O)O)N)CNC(=O)CON |
SMILES_CANONICAL | CACTVS | 3.341 | NOCC(=O)NCC(=O)NCCCC[C@H](N)C(O)=O |
SMILES | CACTVS | 3.341 | NOCC(=O)NCC(=O)NCCCC[CH](N)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCNC(=O)CNC(=O)CON)C[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CCNC(=O)CNC(=O)CON)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C10H20N4O5/c11-7(10(17)18)3-1-2-4-13-8(15)5-14-9(16)6-19-12/h7H,1-6,11-12H2,(H,13,15)(H,14,16)(H,17,18)/t7-/m0/s1 |
InChIKey | InChI | 1.03 | SXRKCWXXAJCBMM-ZETCQYMHSA-N |