(phenylmethyl) 2-[[3-phenyl-2-(2-phenylethanoylsulfanylmethyl)propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-phenyl-2-(2-phenylethanoylsulfanylmethyl)propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-benzyl-3-(2-phenylacetyl)sulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[(1-oxo-2-phenylethyl)thio]methyl]-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-benzyl-3-(2-phenylacetyl)sulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-benzyl-3-[(2-phenylacetyl)thio]propanoyl]amino]acetic acid benzyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c29-25(32-19-23-14-8-3-9-15-23)18-28-27(31)24(16-21-10-4-1-5-11-21)20-33-26(30)17-22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,28,31)