RDY
Summary
| Name: | N-[(benzyloxy)carbonyl]-N-methyl-L-alanine |
| Formula: | C12 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 237.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(benzyloxy)carbonyl]-N-methyl-L-alanine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QGEQKVZQPWSOTI-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N(C)C(=O)OCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N(C)C(=O)OCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)O)N(C)C(=O)OCc1ccccc1 |
