NYB
Summary
| Name: | N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE |
| Formula: | C8 H17 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 191.291 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-methyl-S-[(1R)-1-methylpropyl]-L-cysteine |
| OpenEye OEToolkits | 1.6.1 | (2R)-3-[(2R)-butan-2-yl]sulfanyl-2-methylamino-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC)CSC(CC)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC[C@@H](C)SC[C@H](NC)C(O)=O |
| SMILES | CACTVS | 3.352 | CC[CH](C)SC[CH](NC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC[C@@H](C)SC[C@@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 1.6.1 | CCC(C)SCC(C(=O)O)NC |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2S/c1-4-6(2)12-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | UXCFOODULRZHMV-RQJHMYQMSA-N |
