3-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 4-methyl-3-[2-[[3-(veratroylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H28N2O6S/c1-5-24(26(31)29-21-13-18(27(32)33)10-9-16(21)2)36-20-8-6-7-19(15-20)28-25(30)17-11-12-22(34-3)23(14-17)35-4/h6-15,24H,5H2,1-4H3,(H,28,30)(H,29,31)(H,32,33)