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

Systemtic Name: 5-[(1-azanyl-4-methyl-pentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-ethoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[[1-(2-aminoethyl)-2-methyl-propyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-ethoxy-3-pyridyl]benzoic acid CAS Name: 5-[[(1-amino-4-methylpentan-3-yl)amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-ethoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[(1-amino-4-methylpentan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-ethoxypyridin-3-yl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-ethoxy-3-pyridyl]-5-[[1-(2-aminoethyl)-2-methyl-propyl]carbamoyl]benzoic acid Formula: C29H34N6O5 MolecularWeight: 546.61746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CCN)C(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CCN)C(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C29H34N6O5/c1-4-40-24-12-11-21(25(35-24)28(37)33-19-8-5-17(6-9-19)26(31)32)20-10-7-18(15-22(20)29(38)39)27(36)34-23(13-14-30)16(2)3/h5-12,15-16,23H,4,13-14,30H2,1-3H3,(H3,31,32)(H,33,37)(H,34,36)(H,38,39)