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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[(3,3-dimethylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(3,3-dimethylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-(1,2,2-trimethylpropylcarbamoyl)benzoic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

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Descriptors Computed from Structure

Canonical SMILES:

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