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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[(1-methoxycarbonyl-2-methyl-propyl)carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]-5-[[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]-5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]-5-[(1-carbomethoxy-2-methyl-propyl)carbamoyl]benzoic acid benzyl ester Formula: C35H35N5O6 MolecularWeight: 621.6823

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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)C)C(=O)OC)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)C)C(=O)OC)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C35H35N5O6/c1-20(2)29(35(44)45-4)40-32(41)24-13-17-26(28(18-24)34(43)46-19-22-8-6-5-7-9-22)27-16-10-21(3)38-30(27)33(42)39-25-14-11-23(12-15-25)31(36)37/h5-18,20,29H,19H2,1-4H3,(H3,36,37)(H,39,42)(H,40,41)