2-[[6-azanyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-5-(hydroxymethyl)pyridin-3-yl]methyl]-3-sulfanyl-propanoic acid Openeye Name: 2-[[6-amino-5-(hydroxymethyl)-3-pyridyl]methyl]-3-sulfanyl-propanoic acid CAS Name: 2-[[6-amino-5-(hydroxymethyl)-3-pyridinyl]methyl]-3-mercaptopropanoic acid IUPAC Name: 2-[[6-amino-5-(hydroxymethyl)pyridin-3-yl]methyl]-3-sulfanylpropanoic acid Traditional Name: 2-[(6-amino-5-methylol-3-pyridyl)methyl]-3-mercapto-propionic acid Formula: C10H14N2O3S MolecularWeight: 242.29476

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1CO)N)CC(CS)C(=O)O

Isomeric SMILES

C1=C(C=NC(=C1CO)N)CC(CS)C(=O)O

InChI

InChI=1S/C10H14N2O3S/c11-9-7(4-13)1-6(3-12-9)2-8(5-16)10(14)15/h1,3,8,13,16H,2,4-5H2,(H2,11,12)(H,14,15)