RDM
Summary
Name: | (2R)-2-(acetylamino)-4-phenylbutanoic acid |
Formula: | C12 H15 N O3 |
Formal charge: | 0 |
Formula weight: | 221.252 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2R)-2-(acetylamino)-4-phenylbutanoic acid |
OpenEye OEToolkits | 2.0.6 | (2~{R})-2-acetamido-4-phenyl-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(c1ccccc1)CC(C(=O)O)NC(=O)C |
InChI | InChI | 1.03 | InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1 |
InChIKey | InChI | 1.03 | CNQZAOFOKXXEOB-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@H](CCc1ccccc1)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)N[CH](CCc1ccccc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)N[C@H](CCc1ccccc1)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NC(CCc1ccccc1)C(=O)O |