2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-1-ynyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-1-ynyl-phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-1-ynyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-prop-1-ynylphenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-prop-1-ynylphenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-prop-1-ynyl-phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O4/c1-4-5-18-6-12-22(24(14-18)28(35)33-21-10-7-19(8-11-21)26(30)31)23-13-9-20(15-25(23)29(36)37)27(34)32-16-17(2)3/h6-15,17H,16H2,1-3H3,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)