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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-pyridyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-pyridinyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-pyridyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C26H27N5O4 MolecularWeight: 473.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=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)CNC(=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/C26H27N5O4/c1-26(2,3)14-30-23(32)16-8-11-18(20(13-16)25(34)35)19-5-4-12-29-21(19)24(33)31-17-9-6-15(7-10-17)22(27)28/h4-13H,14H2,1-3H3,(H3,27,28)(H,30,32)(H,31,33)(H,34,35)