6-(tert-butylcarbamoyl)-3-[(4-carbamimidoylphenyl)carbamoyl]-4-thiophen-2-yl-pyridine-2-carboxylic acid

Systemtic Name: 6-(tert-butylcarbamoyl)-3-[(4-carbamimidoylphenyl)carbamoyl]-4-thiophen-2-yl-pyridine-2-carboxylic acid Openeye Name: 6-(tert-butylcarbamoyl)-3-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-thienyl)pyridine-2-carboxylic acid CAS Name: 6-[(tert-butylamino)-oxomethyl]-3-[(4-carbamimidoylanilino)-oxomethyl]-4-thiophen-2-yl-2-pyridinecarboxylic acid IUPAC Name: 6-(tert-butylcarbamoyl)-3-[(4-carbamimidoylphenyl)carbamoyl]-4-thiophen-2-ylpyridine-2-carboxylic acid Traditional Name: 3-[(4-amidinophenyl)carbamoyl]-6-(tert-butylcarbamoyl)-4-(2-thienyl)picolinic acid Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NC(=C(C(=C1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C1=NC(=C(C(=C1)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C23H23N5O4S/c1-23(2,3)28-20(29)15-11-14(16-5-4-10-33-16)17(18(27-15)22(31)32)21(30)26-13-8-6-12(7-9-13)19(24)25/h4-11H,1-3H3,(H3,24,25)(H,26,30)(H,28,29)(H,31,32)