M5P
Summary
| Name: | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID |
| Formula: | C12 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 224.319 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-5-phenyl-2-(sulfanylmethyl)pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-5-phenyl-2-(sulfanylmethyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(CCCc1ccccc1)CS |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)[C@@H](CS)CCCc1ccccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)[CH](CS)CCCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC[C@H](CS)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCCC(CS)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H16O2S/c13-12(14)11(9-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,15H,4,7-9H2,(H,13,14)/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | HEPZYEZEUMVYDV-LLVKDONJSA-N |
