5-[(1-azanyl-4-methyl-pentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid

Systemtic Name: 5-[(1-azanyl-4-methyl-pentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[[1-(2-aminoethyl)-2-methyl-propyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzoic acid CAS Name: 5-[[(1-amino-4-methylpentan-3-yl)amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[(1-amino-4-methylpentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[1-(2-aminoethyl)-2-methyl-propyl]carbamoyl]benzoic acid Formula: C28H32N6O5 MolecularWeight: 532.59088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N6O5/c1-15(2)22(12-13-29)33-26(35)17-6-9-19(21(14-17)28(37)38)20-10-11-23(39-3)34-24(20)27(36)32-18-7-4-16(5-8-18)25(30)31/h4-11,14-15,22H,12-13,29H2,1-3H3,(H3,30,31)(H,32,36)(H,33,35)(H,37,38)