ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate; methanesulfonate

Systemtic Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate; methanesulfonate Openeye Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoate; methanesulfonate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid ethyl ester; methanesulfonate IUPAC Name: ethyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoate; methanesulfonate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid ethyl ester mesylate Formula: C29H33N4O7S- MolecularWeight: 581.65992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)C)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C28H30N4O4.CH4O3S/c1-4-36-28(35)24-15-19(26(33)31-16-17(2)3)11-14-22(24)21-7-5-6-8-23(21)27(34)32-20-12-9-18(10-13-20)25(29)30;1-5(2,3)4/h5-15,17H,4,16H2,1-3H3,(H3,29,30)(H,31,33)(H,32,34);1H3,(H,2,3,4)/p-1