5-acetamido-2-[[6-[(4-acetamido-2-carboxy-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid

Systemtic Name: 5-acetamido-2-[[6-[(4-acetamido-2-carboxy-phenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid Openeye Name: 5-acetamido-2-[[6-(4-acetamido-2-carboxy-anilino)-6-oxo-hexanoyl]amino]benzoic acid CAS Name: 5-acetamido-2-[[6-(4-acetamido-2-carboxyanilino)-1,6-dioxohexyl]amino]benzoic acid IUPAC Name: 5-acetamido-2-[[6-(4-acetamido-2-carboxyanilino)-6-oxohexanoyl]amino]benzoic acid Traditional Name: 5-acetamido-2-[[6-(4-acetamido-2-carboxy-anilino)-6-keto-hexanoyl]amino]benzoic acid Formula: C24H26N4O8 MolecularWeight: 498.48524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)NC(=O)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CCCCC(=O)NC2=C(C=C(C=C2)NC(=O)C)C(=O)O)C(=O)O

InChI

InChI=1S/C24H26N4O8/c1-13(29)25-15-7-9-19(17(11-15)23(33)34)27-21(31)5-3-4-6-22(32)28-20-10-8-16(26-14(2)30)12-18(20)24(35)36/h7-12H,3-6H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)(H,35,36)