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

Systemtic Name: 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]pyridine-2-carboxylic acid Openeye Name: 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]-2-thienyl]pyridine-2-carboxylic acid CAS Name: 6-[(tert-butylamino)-oxomethyl]-3-[3-[(4-carbamimidoylanilino)-oxomethyl]-2-thiophenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-(tert-butylcarbamoyl)-3-[3-[(4-carbamimidoylphenyl)carbamoyl]thiophen-2-yl]pyridine-2-carboxylic acid Traditional Name: 3-[3-[(4-amidinophenyl)carbamoyl]-2-thienyl]-6-(tert-butylcarbamoyl)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=C(C=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=C(C=CS2)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

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