(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[3-methyl-1-[methyl(phenylmethoxycarbonyl)amino]butan-2-yl]carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[3-methyl-1-[methyl(phenylmethoxycarbonyl)amino]butan-2-yl]carbamoyl]benzoate Openeye Name: benzyl 5-[[1-[[benzyloxycarbonyl(methyl)amino]methyl]-2-methyl-propyl]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[[3-methyl-1-[methyl(phenylmethoxycarbonyl)amino]butan-2-yl]amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[3-methyl-1-[methyl(phenylmethoxycarbonyl)amino]butan-2-yl]carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[[1-[[carbobenzoxy(methyl)amino]methyl]-2-methyl-propyl]carbamoyl]benzoic acid benzyl ester Formula: C43H43N5O6 MolecularWeight: 725.83142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN(C)C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)C(CN(C)C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C43H43N5O6/c1-28(2)38(25-48(3)43(52)54-27-30-14-8-5-9-15-30)47-40(49)32-20-23-35(37(24-32)42(51)53-26-29-12-6-4-7-13-29)34-16-10-11-17-36(34)41(50)46-33-21-18-31(19-22-33)39(44)45/h4-24,28,38H,25-27H2,1-3H3,(H3,44,45)(H,46,50)(H,47,49)