DP9
Summary
| Name: | L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE |
| Formula: | C11 H22 N8 O4 |
| Formal charge: | 0 |
| Formula weight: | 330.344 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R)-4-{[N~5~-(N-nitrocarbamimidoyl)-L-ornithyl]amino}-L-prolinamide |
| OpenEye OEToolkits | 1.5.0 | (2S,4R)-4-[[(2S)-2-amino-5-[(N-nitrocarbamimidoyl)amino]pentanoyl]amino]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1CC(C(=O)N)NC1)C(N)CCCNC(=[N@H])N[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCNC(=N)N[N+]([O-])=O)C(=O)N[CH]1CN[CH](C1)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(CNC1C(=O)N)NC(=O)C(CCCNC(=N)N[N+](=O)[O-])N |
| InChI | InChI | 1.03 | InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1 |
| InChIKey | InChI | 1.03 | IUFRDGFKAVLPFZ-CSMHCCOUSA-N |
