methyl 2-[2-(2-benzamido-2-phenyl-ethanoyl)oxybutanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[2-(2-benzamido-2-phenyl-ethanoyl)oxybutanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[2-(2-benzamido-2-phenyl-acetyl)oxybutanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-(2-benzamido-1-oxo-2-phenylethoxy)-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[2-(2-benzamido-2-phenylacetyl)oxybutanoylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[2-(2-benzamido-2-phenyl-acetyl)oxybutanoylamino]-3-(benzylthio)propionic acid methyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)OC(=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H32N2O6S/c1-3-25(28(34)31-24(29(35)37-2)20-39-19-21-13-7-4-8-14-21)38-30(36)26(22-15-9-5-10-16-22)32-27(33)23-17-11-6-12-18-23/h4-18,24-26H,3,19-20H2,1-2H3,(H,31,34)(H,32,33)