2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(1-carboxy-2-methyl-propyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-[(1-carboxy-2-methyl-propyl)carbamoyl]phenyl]benzoic acid Formula: C27H26N4O6 MolecularWeight: 502.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H26N4O6/c1-14(2)22(27(36)37)31-24(32)16-9-12-19(18-5-3-4-6-20(18)26(34)35)21(13-16)25(33)30-17-10-7-15(8-11-17)23(28)29/h3-14,22H,1-2H3,(H3,28,29)(H,30,33)(H,31,32)(H,34,35)(H,36,37)