BSC
Summary
| Name: | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid |
| Synonyms: | L-BUTHIONINE-[S,R]-SULFOXIMINE |
| Formula: | C8 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 222.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-4-(butylsulfonimidoyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCCCS(=N)(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)/t7-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | KJQFBVYMGADDTQ-JKYUHCHBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[S@@](=N)(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[S](=N)(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCS(=N)(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCS(=N)(=O)CCC(C(=O)O)N |
