3-methyl-2-[[6-methyl-4-[(2-naphthalen-1-yl-2-phenylmethoxy-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[6-methyl-4-[(2-naphthalen-1-yl-2-phenylmethoxy-ethanoyl)amino]-3-oxidanyl-heptanoyl]amino]butanoic acid Openeye Name: 2-[[4-[[2-benzyloxy-2-(1-naphthyl)acetyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-hydroxy-6-methyl-4-[[2-(1-naphthalenyl)-1-oxo-2-phenylmethoxyethyl]amino]-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-hydroxy-6-methyl-4-[(2-naphthalen-1-yl-2-phenylmethoxyacetyl)amino]heptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[[2-benzoxy-2-(1-naphthyl)acetyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C32H40N2O6 MolecularWeight: 548.6698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC2=CC=CC=C21)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC2=CC=CC=C21)OCC3=CC=CC=C3

InChI

InChI=1S/C32H40N2O6/c1-20(2)17-26(27(35)18-28(36)34-29(21(3)4)32(38)39)33-31(37)30(40-19-22-11-6-5-7-12-22)25-16-10-14-23-13-8-9-15-24(23)25/h5-16,20-21,26-27,29-30,35H,17-19H2,1-4H3,(H,33,37)(H,34,36)(H,38,39)