2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-thiophen-2-yl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-thiophen-2-yl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-(2-thienyl)phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-thiophen-2-ylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-5-thiophen-2-ylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-5-(2-thienyl)phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=CC(=C2)C3=CC=CS3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C30H28N4O4S/c1-17(2)16-33-28(35)20-8-11-22(25(15-20)30(37)38)24-14-19(26-4-3-13-39-26)7-12-23(24)29(36)34-21-9-5-18(6-10-21)27(31)32/h3-15,17H,16H2,1-2H3,(H3,31,32)(H,33,35)(H,34,36)(H,37,38)