B3M
Summary
| Name: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
| Formula: | C6 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 163.238 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R)-3-amino-5-methylsulfanyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)CCSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSCC[C@H](N)CC(O)=O |
| SMILES | CACTVS | 3.341 | CSCC[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSCC[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCCC(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | QWVNCDVONVDGDV-YFKPBYRVSA-N |
