2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-hydroxy-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(2-methyl-1-methylol-propyl)carbamoyl]benzoic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O5/c1-15(2)23(14-32)31-25(33)17-9-12-20(22(13-17)27(35)36)19-5-3-4-6-21(19)26(34)30-18-10-7-16(8-11-18)24(28)29/h3-13,15,23,32H,14H2,1-2H3,(H3,28,29)(H,30,34)(H,31,33)(H,35,36)