2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropylamino)methyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropylamino)methyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(isobutylamino)methyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)methyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropylamino)methyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(isobutylamino)methyl]benzoic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-16(2)14-29-15-17-7-12-21(23(13-17)26(32)33)20-5-3-4-6-22(20)25(31)30-19-10-8-18(9-11-19)24(27)28/h3-13,16,29H,14-15H2,1-2H3,(H3,27,28)(H,30,31)(H,32,33)