methyl 2-(2-methylpropanoylamino)-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-(2-methylpropanoylamino)-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-(2-methylpropanoylamino)propanoate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-(2-methylpropanoylamino)propanoate Traditional Name: 3-(benzylthio)-2-(isobutyrylamino)propionic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C15H21NO3S/c1-11(2)14(17)16-13(15(18)19-3)10-20-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17)