7YR
Summary
| Name: | 5-oxo-D-prolylglycyl-N-(4-nitrophenyl)-L-argininamide |
| Formula: | C19 H26 N8 O6 |
| Formal charge: | 0 |
| Formula weight: | 462.46 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-oxo-D-prolylglycyl-N-(4-nitrophenyl)-L-argininamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{R})-~{N}-[2-[[(2~{S})-5-carbamimidamido-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCC(N1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C19H26N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)/t13-,14+/m0/s1 |
| InChIKey | InChI | 1.06 | DGYWXYFLXYIOCP-UONOGXRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)CNC(=O)[C@H]1CCC(=O)N1)C(=O)Nc2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)CNC(=O)[CH]1CCC(=O)N1)C(=O)Nc2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [H]/N=C(\N)/NCCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)CNC(=O)[C@H]2CCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CCC(=O)N2)[N+](=O)[O-] |
