methyl 3-methyl-2-[[2-(2-phenylethanoylamino)-2-(phenylmethylsulfanyl)ethanoyl]amino]but-2-enoate

Systemtic Name: methyl 3-methyl-2-[[2-(2-phenylethanoylamino)-2-(phenylmethylsulfanyl)ethanoyl]amino]but-2-enoate Openeye Name: methyl 2-[[2-benzylsulfanyl-2-[(2-phenylacetyl)amino]acetyl]amino]-3-methyl-but-2-enoate CAS Name: 3-methyl-2-[[1-oxo-2-[(1-oxo-2-phenylethyl)amino]-2-(phenylmethylthio)ethyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl 2-[[2-benzylsulfanyl-2-[(2-phenylacetyl)amino]acetyl]amino]-3-methylbut-2-enoate Traditional Name: 2-[[2-(benzylthio)-2-[(2-phenylacetyl)amino]acetyl]amino]-3-methyl-but-2-enoic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)C(NC(=O)CC1=CC=CC=C1)SCC2=CC=CC=C2)C

Isomeric SMILES

CC(=C(C(=O)OC)NC(=O)C(NC(=O)CC1=CC=CC=C1)SCC2=CC=CC=C2)C

InChI

InChI=1S/C23H26N2O4S/c1-16(2)20(23(28)29-3)25-21(27)22(30-15-18-12-8-5-9-13-18)24-19(26)14-17-10-6-4-7-11-17/h4-13,22H,14-15H2,1-3H3,(H,24,26)(H,25,27)