Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N |
InChI | InChI | 1.03 | InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1 |
InChIKey | InChI | 1.03 | GTRMYGUJZGMZEF-NKWVEPMBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](N1[C@H](CCC1=O)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](N1[CH](CCC1=O)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(=O)N(C1C(=O)O)C(CCCNC(=N)N)C(=O)O |