2-[5-methyl-3-(2-methylpropyl)-4-(2-naphthalen-2-ylethanoyl)-2-oxidanylidene-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[5-methyl-3-(2-methylpropyl)-4-(2-naphthalen-2-ylethanoyl)-2-oxidanylidene-1,4-diazepan-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-isobutyl-5-methyl-4-[2-(2-naphthyl)acetyl]-2-oxo-1,4-diazepan-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[5-methyl-3-(2-methylpropyl)-4-[2-(2-naphthalenyl)-1-oxoethyl]-2-oxo-1,4-diazepan-1-yl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[5-methyl-3-(2-methylpropyl)-4-(2-naphthalen-2-ylacetyl)-2-oxo-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-isobutyl-2-keto-5-methyl-4-[2-(2-naphthyl)acetyl]-1,4-diazepan-1-yl]-3-(2-naphthyl)propionic acid Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C(=O)C(N1C(=O)CC2=CC3=CC=CC=C3C=C2)CC(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

CC1CCN(C(=O)C(N1C(=O)CC2=CC3=CC=CC=C3C=C2)CC(C)C)C(CC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C35H38N2O4/c1-23(2)18-31-34(39)36(32(35(40)41)21-25-12-14-27-8-4-6-10-29(27)19-25)17-16-24(3)37(31)33(38)22-26-13-15-28-9-5-7-11-30(28)20-26/h4-15,19-20,23-24,31-32H,16-18,21-22H2,1-3H3,(H,40,41)