CPM
Summary
| Name: | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-S-METHANE |
| Formula: | C11 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 240.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-benzyl-3-(S-methylsulfonodiimidoyl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-[(methylsulfonodiimidoyl)methyl]-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(CS(=N)(=N)C)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S](=N)(=N)C[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=N)(=N)C[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=N)(=N)CC(Cc1ccccc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O2S/c1-16(12,13)8-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | FKHYVJWYNYZPCA-SNVBAGLBSA-N |
