methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-oxidanyl-propanoate

Systemtic Name: methyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-oxidanyl-propanoate Openeye Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-hydroxy-propanoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-hydroxypropanoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-hydroxy-propionic acid methyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(C(=O)OC)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(C(=O)OC)O

InChI

InChI=1S/C16H21NO5S/c1-11(18)23-10-13(8-12-6-4-3-5-7-12)15(20)17-9-14(19)16(21)22-2/h3-7,13-14,19H,8-10H2,1-2H3,(H,17,20)