5-(tert-butylcarbamoyl)-2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridin-3-yl-benzoic acid

Systemtic Name: 5-(tert-butylcarbamoyl)-2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridin-3-yl-benzoic acid Openeye Name: 5-(tert-butylcarbamoyl)-2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-(3-pyridyl)benzoic acid CAS Name: 5-[(tert-butylamino)-oxomethyl]-2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-(3-pyridinyl)benzoic acid IUPAC Name: 5-(tert-butylcarbamoyl)-2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridin-3-ylbenzoic acid Traditional Name: 2-[(4-amidinophenyl)carbamoyl]-5-(tert-butylcarbamoyl)-6-methoxy-3-(3-pyridyl)benzoic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O5/c1-26(2,3)31-23(32)18-12-17(15-6-5-11-29-13-15)19(20(25(34)35)21(18)36-4)24(33)30-16-9-7-14(8-10-16)22(27)28/h5-13H,1-4H3,(H3,27,28)(H,30,33)(H,31,32)(H,34,35)