2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methyl-3-pyridyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-methyl-3-pyridinyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-methylpyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-methyl-3-pyridyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CN=C(C(=C1)C2=C(C=C(C=C2)C(=O)NCC(C)(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H29N5O4/c1-15-11-20(22(30-13-15)25(34)32-18-8-5-16(6-9-18)23(28)29)19-10-7-17(12-21(19)26(35)36)24(33)31-14-27(2,3)4/h5-13H,14H2,1-4H3,(H3,28,29)(H,31,33)(H,32,34)(H,35,36)