(phenylmethyl) 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-(isobutylcarbamoyl)benzoate CAS Name: 2-[4-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-[4-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CN=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H31N5O4/c1-20(2)17-36-30(38)23-10-13-25(27(16-23)32(40)41-19-21-6-4-3-5-7-21)28-18-35-15-14-26(28)31(39)37-24-11-8-22(9-12-24)29(33)34/h3-16,18,20H,17,19H2,1-2H3,(H3,33,34)(H,36,38)(H,37,39)