2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-3-pyridyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(6-carbamimidoyl-3-pyridinyl)amino]-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(6-carbamimidoylpyridin-3-yl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(6-amidino-3-pyridyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O4/c1-14(2)12-29-23(31)15-7-9-18(20(11-15)25(33)34)17-5-3-4-6-19(17)24(32)30-16-8-10-21(22(26)27)28-13-16/h3-11,13-14H,12H2,1-2H3,(H3,26,27)(H,29,31)(H,30,32)(H,33,34)