2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-5-(2-methylpropylcarbamoyl)-3-pyridin-3-yl-benzoic acid

Systemtic Name: 2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-5-(2-methylpropylcarbamoyl)-3-pyridin-3-yl-benzoic acid Openeye Name: 2-[(4-carbamimidoylanilino)methyl]-5-(isobutylcarbamoyl)-6-methyl-3-(3-pyridyl)benzoic acid CAS Name: 2-[(4-carbamimidoylanilino)methyl]-6-methyl-5-[(2-methylpropylamino)-oxomethyl]-3-(3-pyridinyl)benzoic acid IUPAC Name: 2-[(4-carbamimidoylanilino)methyl]-6-methyl-5-(2-methylpropylcarbamoyl)-3-pyridin-3-ylbenzoic acid Traditional Name: 2-[(4-amidinoanilino)methyl]-5-(isobutylcarbamoyl)-6-methyl-3-(3-pyridyl)benzoic acid Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)CNC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)CNC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3)C(=O)NCC(C)C

InChI

InChI=1S/C26H29N5O3/c1-15(2)12-31-25(32)20-11-21(18-5-4-10-29-13-18)22(23(16(20)3)26(33)34)14-30-19-8-6-17(7-9-19)24(27)28/h4-11,13,15,30H,12,14H2,1-3H3,(H3,27,28)(H,31,32)(H,33,34)