(phenylmethyl) 2-[[2-(phenylmethyl)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-(phenylmethyl)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate Openeye Name: benzyl 2-[(2-benzyl-3-benzylsulfanyl-propanoyl)amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethyl)-3-(phenylmethylthio)propyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-benzyl-3-benzylsulfanylpropanoyl)amino]acetate Traditional Name: 2-[[2-benzyl-3-(benzylthio)propanoyl]amino]acetic acid benzyl ester Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CSCC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO3S/c28-25(30-18-22-12-6-2-7-13-22)17-27-26(29)24(16-21-10-4-1-5-11-21)20-31-19-23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,27,29)