I4Q
Summary
| Name: | ethyl (2~{S})-2-benzamido-5-carbamimidamido-pentanoate |
| Formula: | C15 H22 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 306.36 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{S})-2-benzamido-5-carbamimidamido-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H22N4O3/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | YQDHCCVUYCIGSW-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](CCCNC(N)=N)NC(=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\NCCC[C@@H](C(=O)OCC)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(CCCNC(=N)N)NC(=O)c1ccccc1 |
