(phenylmethyl) 2-methyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 2-methyl-2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoate Openeye Name: benzyl 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]-2-methyl-propanoate CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]-2-methylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-benzyl-3-sulfanylpropanoyl)amino]-2-methylpropanoate Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]-2-methyl-propionic acid benzyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CC(C)(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C21H25NO3S/c1-21(2,20(24)25-14-17-11-7-4-8-12-17)22-19(23)18(15-26)13-16-9-5-3-6-10-16/h3-12,18,26H,13-15H2,1-2H3,(H,22,23)