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

Systemtic Name: 5-[(1-azanyl-5-methyl-hexan-3-yl)carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-ethoxy-pyridin-3-yl]benzoic acid Openeye Name: 5-[[1-(2-aminoethyl)-3-methyl-butyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-ethoxy-3-pyridyl]benzoic acid CAS Name: 5-[[(1-amino-5-methylhexan-3-yl)amino]-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-ethoxy-3-pyridinyl]benzoic acid IUPAC Name: 5-[(1-amino-5-methylhexan-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)-3-methyl-butyl]carbamoyl]benzoic acid Formula: C30H36N6O5 MolecularWeight: 560.64404

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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)CC(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)CC(C)C)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C30H36N6O5/c1-4-41-25-12-11-23(26(36-25)29(38)34-20-8-5-18(6-9-20)27(32)33)22-10-7-19(16-24(22)30(39)40)28(37)35-21(13-14-31)15-17(2)3/h5-12,16-17,21H,4,13-15,31H2,1-3H3,(H3,32,33)(H,34,38)(H,35,37)(H,39,40)