RRT
Summary
| Name: | (R)-RETRO-THIORPHAN |
| Synonyms: | 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID |
| Formula: | C12 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 253.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-oxo-3-[[(2R)-1-phenyl-3-sulfanyl-propan-2-yl]amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(=O)NC(Cc1ccccc1)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)CC(=O)N[CH](CS)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC(CS)NC(=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | REPVVNYZORKKPQ-SNVBAGLBSA-N |
