EDX
Summary
| Name: | (2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid |
| Formula: | C15 H22 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 322.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4O4/c16-14(17)18-9-5-4-8-12(13(20)21)19-15(22)23-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,19,22)(H,20,21)(H4,16,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | KTPKIMJAZDFELN-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=N)NCCCC[CH](NC(=O)OCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)NC(CCCCNC(=N)N)C(=O)O |
