6K8
Summary
| Name: | N-(benzenecarbonyl)glycyl-L-arginine |
| Formula: | C15 H21 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 335.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(benzenecarbonyl)glycyl-L-arginine |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-(2-benzamidoethanoylamino)-5-carbamimidamido-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N/C(NCCCC(NC(=O)CNC(c1ccccc1)=O)C(O)=O)=N |
| InChI | InChI | 1.03 | InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | GFLCPYUSPYXNBV-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)CNC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)CNC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O |
