S2D
Summary
| Name: | N-BENZOYL-D-ALANINE |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-benzoyl-D-alanine |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-benzamidopropanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)C)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](NC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H](C(=O)O)NC(=O)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(=O)O)NC(=O)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | UAQVHNZEONHPQG-SSDOTTSWSA-N |
