2-[[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]carbonylamino]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]carbonylamino]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: 2-[[3-[(4-carbamimidoylbenzoyl)amino]benzoyl]amino]-4-methoxy-4-oxo-butanoic acid CAS Name: 2-[[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-methoxy-4-oxobutanoic acid IUPAC Name: 2-[[3-[(4-carbamimidoylbenzoyl)amino]benzoyl]amino]-4-methoxy-4-oxobutanoic acid Traditional Name: 2-[[3-[(4-amidinobenzoyl)amino]benzoyl]amino]-4-keto-4-methoxy-butyric acid Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H20N4O6/c1-30-16(25)10-15(20(28)29)24-19(27)13-3-2-4-14(9-13)23-18(26)12-7-5-11(6-8-12)17(21)22/h2-9,15H,10H2,1H3,(H3,21,22)(H,23,26)(H,24,27)(H,28,29)