6JY
Summary
| Name: | N~2~-(benzenecarbonyl)-L-arginine |
| Formula: | C13 H18 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 278.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-(benzenecarbonyl)-L-arginine |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-benzamido-5-carbamimidamido-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N |
| InChI | InChI | 1.03 | InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | RSYYQCDERUOEFI-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)C(=O)NC(CCCNC(=N)N)C(=O)O |
