NV6
Summary
| Name: | (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid |
| Formula: | C10 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 224.213 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O4/c11-10(16)12-8(9(14)15)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5H2,(H,14,15)(H3,11,12,16)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | PNLKYZVGQWCHBH-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C[C@@H](C(=O)O)NC(=O)N)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1CC(C(=O)O)NC(=O)N)O |
