2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-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=C(N=CC=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

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

InChI

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