JJK
Summary
Name: | S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine |
Formula: | C9 H12 N2 O3 S |
Formal charge: | 0 |
Formula weight: | 228.268 Da |
Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine |
OpenEye OEToolkits | 1.7.0 | (2R)-2-azanyl-3-[(S)-hydroxy(pyridin-3-yl)methyl]sulfanyl-propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)CSC(O)c1cccnc1 |
SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CS[C@H](O)c1cccnc1)C(O)=O |
SMILES | CACTVS | 3.370 | N[CH](CS[CH](O)c1cccnc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)[C@@H](O)SC[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)C(O)SCC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H12N2O3S/c10-7(8(12)13)5-15-9(14)6-2-1-3-11-4-6/h1-4,7,9,14H,5,10H2,(H,12,13)/t7-,9-/m0/s1 |
InChIKey | InChI | 1.03 | QHZWFSKZAVJVMS-CBAPKCEASA-N |