(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[2-ethyl-2-(hydroxymethyl)butyl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[[2-ethyl-2-(hydroxymethyl)butyl]carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[2-ethyl-2-(hydroxymethyl)butyl]carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[[2-ethyl-2-(hydroxymethyl)butyl]carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(2-ethyl-2-methylol-butyl)carbamoyl]benzoic acid benzyl ester Formula: C36H39N5O6 MolecularWeight: 637.72476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CNC(=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)OCC4=CC=CC=C4)CO

Isomeric SMILES

CCC(CC)(CNC(=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)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C36H39N5O6/c1-4-36(5-2,22-42)21-39-33(43)25-13-16-27(29(19-25)35(45)47-20-23-9-7-6-8-10-23)28-17-18-30(46-3)41-31(28)34(44)40-26-14-11-24(12-15-26)32(37)38/h6-19,42H,4-5,20-22H2,1-3H3,(H3,37,38)(H,39,43)(H,40,44)