NZ2
Summary
| Name: | N-(methylsulfonyl)-N-phenyl-L-alanine |
| Formula: | C10 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 243.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(methylsulfonyl)-N-phenyl-L-alanine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-[methylsulfonyl(phenyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N(c1ccccc1)C(C(=O)O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO4S/c1-8(10(12)13)11(16(2,14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | RIWCJTAAIOCFTR-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N(c1ccccc1)[S](C)(=O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)N(c1ccccc1)S(=O)(=O)C |
