D7P
Summary
| Name: | D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide |
| Synonyms: | D-PHENYLALANINE-D-NITROARGININE AMIDE |
| Formula: | C15 H23 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 365.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-2-[[(2~{R})-2-azanyl-3-phenyl-propanoyl]amino]-5-[(~{N}-nitrocarbamimidoyl)amino]pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N[N+]([O-])=O)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C15H23N7O4/c16-11(9-10-5-2-1-3-6-10)14(24)20-12(13(17)23)7-4-8-19-15(18)21-22(25)26/h1-3,5-6,11-12H,4,7-9,16H2,(H2,17,23)(H,20,24)(H3,18,19,21)/t11-,12-/m1/s1 |
| InChIKey | InChI | 1.06 | ROOVMLVHYSRGJB-VXGBXAGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N[N+]([O-])=O)C(N)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccccc1)C(=O)N[CH](CCCNC(=N)N[N+]([O-])=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(/NCCC[C@H](C(=O)N)NC(=O)[C@@H](Cc1ccccc1)N)\N[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)CC(C(=O)NC(CCCNC(=N)N[N+](=O)[O-])C(=O)N)N |
