(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(1,1,3,3-tetramethylbutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[oxo-(2,4,4-trimethylpentan-2-ylamino)methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-(2,4,4-trimethylpentan-2-ylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-(1,1,3,3-tetramethylbutylcarbamoyl)benzoic acid benzyl ester Formula: C37H41N5O4 MolecularWeight: 619.75254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC(C)(C)CC(C)(C)C)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C37H41N5O4/c1-23-12-18-29(31(40-23)34(44)41-27-16-13-25(14-17-27)32(38)39)28-19-15-26(33(43)42-37(5,6)22-36(2,3)4)20-30(28)35(45)46-21-24-10-8-7-9-11-24/h7-20H,21-22H2,1-6H3,(H3,38,39)(H,41,44)(H,42,43)