(phenylmethyl) 2-[[2-(ethylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoate

Systemtic Name: (phenylmethyl) 2-[[2-(ethylsulfanylmethyl)-3-phenyl-propanoyl]amino]hexanoate Openeye Name: benzyl 2-[(2-benzyl-3-ethylsulfanyl-propanoyl)amino]hexanoate CAS Name: 2-[[2-[(ethylthio)methyl]-1-oxo-3-phenylpropyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-benzyl-3-ethylsulfanylpropanoyl)amino]hexanoate Traditional Name: 2-[[2-benzyl-3-(ethylthio)propanoyl]amino]hexanoic acid benzyl ester Formula: C25H33NO3S MolecularWeight: 427.59942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSCC

Isomeric SMILES

CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSCC

InChI

InChI=1S/C25H33NO3S/c1-3-5-16-23(25(28)29-18-21-14-10-7-11-15-21)26-24(27)22(19-30-4-2)17-20-12-8-6-9-13-20/h6-15,22-23H,3-5,16-19H2,1-2H3,(H,26,27)