Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)NC(=[N@H])NCCCC(C(=O)NC(C(=O)N)CCN)N |
SMILES_CANONICAL | CACTVS | 3.341 | NCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O |
SMILES | CACTVS | 3.341 | NCC[CH](NC(=O)[CH](N)CCCNC(=N)N[N+]([O-])=O)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(C(=O)NC(CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1 |
InChIKey | InChI | 1.03 | KUZKVXUOMSVPOA-BQBZGAKWSA-N |