(phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-3-benzyloxy-propanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-3-phenylmethoxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-3-benzoxy-propionic acid benzyl ester Formula: C30H33NO5S MolecularWeight: 519.65172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)C(CSC(=O)C)C(=O)NC(COCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO5S/c1-22(26-16-10-5-11-17-26)27(21-37-23(2)32)29(33)31-28(20-35-18-24-12-6-3-7-13-24)30(34)36-19-25-14-8-4-9-15-25/h3-17,22,27-28H,18-21H2,1-2H3,(H,31,33)