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

Systemtic Name: (phenylmethyl) 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-oxidanyl-propanoate Openeye Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-hydroxy-propanoate CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-hydroxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-hydroxypropanoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-2-hydroxy-propionic acid benzyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H25NO5S/c1-16(24)29-15-19(12-17-8-4-2-5-9-17)21(26)23-13-20(25)22(27)28-14-18-10-6-3-7-11-18/h2-11,19-20,25H,12-15H2,1H3,(H,23,26)