(phenylmethyl) 4-[2-(4-methoxyphenyl)ethylamino]-3-[[methyl-[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]phenyl]carbonyl-carbamoyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-[2-(4-methoxyphenyl)ethylamino]-3-[[methyl-[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]phenyl]carbonyl-carbamoyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 3-[[[4-[4-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]benzoyl]-methyl-carbamoyl]amino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxo-butanoate CAS Name: 3-[[[[[4-[4-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]phenyl]-oxomethyl]-methylamino]-oxomethyl]amino]-4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(4-methoxyphenyl)ethylamino]-3-[[methyl-[4-[4-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]benzoyl]carbamoyl]amino]-4-oxobutanoate Traditional Name: 3-[[[4-[4-[(E)-N'-carbobenzoxyamidino]phenyl]benzoyl]-methyl-carbamoyl]amino]-4-keto-4-[2-(4-methoxyphenyl)ethylamino]butyric acid benzyl ester Formula: C44H43N5O8 MolecularWeight: 769.84092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=NC(=O)OCC3=CC=CC=C3)N)C(=O)NC(CC(=O)OCC4=CC=CC=C4)C(=O)NCCC5=CC=C(C=C5)OC

Isomeric SMILES

CN(C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=N\C(=O)OCC3=CC=CC=C3)/N)C(=O)NC(CC(=O)OCC4=CC=CC=C4)C(=O)NCCC5=CC=C(C=C5)OC

InChI

InChI=1S/C44H43N5O8/c1-49(42(52)36-21-17-34(18-22-36)33-15-19-35(20-16-33)40(45)48-44(54)57-29-32-11-7-4-8-12-32)43(53)47-38(27-39(50)56-28-31-9-5-3-6-10-31)41(51)46-26-25-30-13-23-37(55-2)24-14-30/h3-24,38H,25-29H2,1-2H3,(H,46,51)(H,47,53)(H2,45,48,54)