methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropanoylamino)methyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2-methylpropanoylamino)methyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(isobutyrylamino)methyl]benzoic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H28N4O4/c1-16(2)25(32)30-15-17-8-13-21(23(14-17)27(34)35-3)20-6-4-5-7-22(20)26(33)31-19-11-9-18(10-12-19)24(28)29/h4-14,16H,15H2,1-3H3,(H3,28,29)(H,30,32)(H,31,33)