NO6
Summary
| Name: | S-[(pyridin-2-yl)methyl]-L-cysteine |
| Formula: | C9 H12 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 212.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | S-[(pyridin-2-yl)methyl]-L-cysteine |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-azanyl-3-(pyridin-2-ylmethylsulfanyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSCc1ccccn1 |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2S/c10-8(9(12)13)6-14-5-7-3-1-2-4-11-7/h1-4,8H,5-6,10H2,(H,12,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | LHCQVBLTAYDREK-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CSCc1ccccn1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CSCc1ccccn1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CSC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CSCC(C(=O)O)N |
