5-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-[(2,6-dimethoxyphenyl)carbonylamino]phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-[(2,6-dimethoxybenzoyl)amino]phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C26H26N2O7S MolecularWeight: 510.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)O)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C26H26N2O7S/c1-4-22(24(30)27-16-11-12-19(29)18(14-16)26(32)33)36-17-8-5-7-15(13-17)28-25(31)23-20(34-2)9-6-10-21(23)35-3/h5-14,22,29H,4H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)