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

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H25NO4S/c1-16(24)28-15-19(13-17-9-5-3-6-10-17)21(25)23-20(22(26)27-2)14-18-11-7-4-8-12-18/h3-12,19-20H,13-15H2,1-2H3,(H,23,25)