(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(4-methyl-1-morpholin-4-yl-1-oxidanylidene-pentan-2-yl)carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[[3-methyl-1-(morpholine-4-carbonyl)butyl]carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[[[4-methyl-1-(4-morpholinyl)-1-oxopentan-2-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[[3-methyl-1-(morpholine-4-carbonyl)butyl]carbamoyl]benzoic acid benzyl ester Formula: C39H42N6O6 MolecularWeight: 690.78738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CC(C)C)C(=O)N3CCOCC3)C(=O)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(CC(C)C)C(=O)N3CCOCC3)C(=O)OCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C39H42N6O6/c1-24(2)21-33(38(48)45-17-19-50-20-18-45)44-36(46)28-12-16-30(32(22-28)39(49)51-23-26-7-5-4-6-8-26)31-15-9-25(3)42-34(31)37(47)43-29-13-10-27(11-14-29)35(40)41/h4-16,22,24,33H,17-21,23H2,1-3H3,(H3,40,41)(H,43,47)(H,44,46)