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

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

InChI

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