2-[(1-ethoxy-1-oxidanylidene-heptan-2-yl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(1-ethoxy-1-oxidanylidene-heptan-2-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-(1-ethoxycarbonylhexylamino)-3-sulfanyl-propanoic acid CAS Name: 2-[(1-ethoxy-1-oxoheptan-2-yl)amino]-3-mercaptopropanoic acid IUPAC Name: 2-[(1-ethoxy-1-oxoheptan-2-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 2-(1-carbethoxyhexylamino)-3-mercapto-propionic acid Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)OCC)NC(CS)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)OCC)NC(CS)C(=O)O

InChI

InChI=1S/C12H23NO4S/c1-3-5-6-7-9(12(16)17-4-2)13-10(8-18)11(14)15/h9-10,13,18H,3-8H2,1-2H3,(H,14,15)