R40
Summary
| Name: | N~2~-[(benzyloxy)carbonyl]-L-arginine |
| Formula: | C14 H20 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 308.333 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-[(benzyloxy)carbonyl]-L-arginine |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-5-carbamimidamido-2-(phenylmethoxycarbonylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=C(/NCCCC(NC(=O)OCc1ccccc1)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | SJSSFUMSAFMFNM-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCC[CH](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | [H]/N=C(\N)/NCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)COC(=O)NC(CCCNC(=N)N)C(=O)O |
