4-(2-acetamidoethoxycarbonyl)-7-methyl-2-(2-methylpropylcarbamoylamino)-2-[(4-phenylphenyl)methyl]octanoate

Systemtic Name: 4-(2-acetamidoethoxycarbonyl)-7-methyl-2-(2-methylpropylcarbamoylamino)-2-[(4-phenylphenyl)methyl]octanoate Openeye Name: 4-(2-acetamidoethoxycarbonyl)-2-(isobutylcarbamoylamino)-7-methyl-2-[(4-phenylphenyl)methyl]octanoate CAS Name: 4-[2-acetamidoethoxy(oxo)methyl]-7-methyl-2-[[(2-methylpropylamino)-oxomethyl]amino]-2-[(4-phenylphenyl)methyl]octanoate IUPAC Name: 4-(2-acetamidoethoxycarbonyl)-7-methyl-2-(2-methylpropylcarbamoylamino)-2-[(4-phenylphenyl)methyl]octanoate Traditional Name: 4-(2-acetamidoethoxycarbonyl)-2-(isobutylcarbamoylamino)-7-methyl-2-(4-phenylbenzyl)caprylate Formula: C32H44N3O6- MolecularWeight: 566.70826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)[O-])NC(=O)NCC(C)C)C(=O)OCCNC(=O)C

Isomeric SMILES

CC(C)CCC(CC(CC1=CC=C(C=C1)C2=CC=CC=C2)(C(=O)[O-])NC(=O)NCC(C)C)C(=O)OCCNC(=O)C

InChI

InChI=1S/C32H45N3O6/c1-22(2)11-14-28(29(37)41-18-17-33-24(5)36)20-32(30(38)39,35-31(40)34-21-23(3)4)19-25-12-15-27(16-13-25)26-9-7-6-8-10-26/h6-10,12-13,15-16,22-23,28H,11,14,17-21H2,1-5H3,(H,33,36)(H,38,39)(H2,34,35,40)/p-1