3-[2-(2-oxidanylidene-4-phenethyl-pyridin-1-yl)hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid

Systemtic Name: 3-[2-(2-oxidanylidene-4-phenethyl-pyridin-1-yl)hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Openeye Name: 3-(3-isopropoxyphenyl)-3-[2-(2-oxo-4-phenethyl-1-pyridyl)hexanoylamino]propanoic acid CAS Name: 3-[[1-oxo-2-(2-oxo-4-phenethyl-1-pyridinyl)hexyl]amino]-3-(3-propan-2-yloxyphenyl)propanoic acid IUPAC Name: 3-[2-(2-oxo-4-phenethylpyridin-1-yl)hexanoylamino]-3-(3-propan-2-yloxyphenyl)propanoic acid Traditional Name: 3-(3-isopropoxyphenyl)-3-[2-(2-keto-4-phenethyl-1-pyridyl)hexanoylamino]propionic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OC(C)C)N2C=CC(=CC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC(=CC=C1)OC(C)C)N2C=CC(=CC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C31H38N2O5/c1-4-5-14-28(33-18-17-24(19-29(33)34)16-15-23-10-7-6-8-11-23)31(37)32-27(21-30(35)36)25-12-9-13-26(20-25)38-22(2)3/h6-13,17-20,22,27-28H,4-5,14-16,21H2,1-3H3,(H,32,37)(H,35,36)