DP3
Summary
| Name: | N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE |
| Formula: | C8 H21 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.298 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-{(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl}-3-nitroguanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-3-nitro-guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)NC(=[N@H])NCCCC(N)CNCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCNC[C@@H](N)CCCNC(=N)N[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | NCCNC[CH](N)CCCNC(=N)N[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(CNCCN)N)CNC(=N)N[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | RMSWBHUVFNFNIZ-ZETCQYMHSA-N |
