(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]-5-[[(3-hydroxy-2,2-dimethylpropyl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]-5-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoyl]benzoic acid benzyl ester Formula: C34H35N5O6 MolecularWeight: 609.6716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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

CC(C)(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/C34H35N5O6/c1-34(2,20-40)19-37-31(41)23-11-14-25(27(17-23)33(43)45-18-21-7-5-4-6-8-21)26-15-16-28(44-3)39-29(26)32(42)38-24-12-9-22(10-13-24)30(35)36/h4-17,40H,18-20H2,1-3H3,(H3,35,36)(H,37,41)(H,38,42)