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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N6O5/c1-4-17(3)24(14-15-31)35-28(37)19-8-11-21(23(16-19)30(39)40)22-12-13-25(41-5-2)36-26(22)29(38)34-20-9-6-18(7-10-20)27(32)33/h6-13,16-17,24H,4-5,14-15,31H2,1-3H3,(H3,32,33)(H,34,38)(H,35,37)(H,39,40)