APA
Summary
| Name: | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid |
| Formula: | C10 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-3-(4-carbamimidoylphenyl)-2-hydroxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)Cc1ccc(cc1)C(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)c1ccc(C[C@H](O)C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | NC(=N)c1ccc(C[CH](O)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)C[C@@H](C(=O)O)O)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CC(C(=O)O)O)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O3/c11-9(12)7-3-1-6(2-4-7)5-8(13)10(14)15/h1-4,8,13H,5H2,(H3,11,12)(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | FAFAPKBWTCDDJC-QMMMGPOBSA-N |
