methyl 2-(3-acetamidopropanoylamino)-3-sulfanyl-propanoate

Systemtic Name: methyl 2-(3-acetamidopropanoylamino)-3-sulfanyl-propanoate Openeye Name: methyl 2-(3-acetamidopropanoylamino)-3-sulfanyl-propanoate CAS Name: 2-[(3-acetamido-1-oxopropyl)amino]-3-mercaptopropanoic acid methyl ester IUPAC Name: methyl 2-(3-acetamidopropanoylamino)-3-sulfanylpropanoate Traditional Name: 2-(3-acetamidopropanoylamino)-3-mercapto-propionic acid methyl ester Formula: C9H16N2O4S MolecularWeight: 248.29934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NC(CS)C(=O)OC

Isomeric SMILES

CC(=O)NCCC(=O)NC(CS)C(=O)OC

InChI

InChI=1S/C9H16N2O4S/c1-6(12)10-4-3-8(13)11-7(5-16)9(14)15-2/h7,16H,3-5H2,1-2H3,(H,10,12)(H,11,13)