2-[6-methyl-2-oxidanylidene-3-[[1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]pyridin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-oxidanylidene-3-[[1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]pyridin-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-benzyl-2-(benzyloxycarbonylamino)ethyl]amino]-6-methyl-2-oxo-1-pyridyl]acetic acid CAS Name: 2-[6-methyl-2-oxo-3-[[1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]-1-pyridinyl]acetic acid IUPAC Name: 2-[6-methyl-2-oxo-3-[[1-phenyl-3-(phenylmethoxycarbonylamino)propan-2-yl]amino]pyridin-1-yl]acetic acid Traditional Name: 2-[3-[[1-benzyl-2-(benzyloxycarbonylamino)ethyl]amino]-2-keto-6-methyl-1-pyridyl]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C(=O)N1CC(=O)O)NC(CC2=CC=CC=C2)CNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C(=O)N1CC(=O)O)NC(CC2=CC=CC=C2)CNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O5/c1-18-12-13-22(24(31)28(18)16-23(29)30)27-21(14-19-8-4-2-5-9-19)15-26-25(32)33-17-20-10-6-3-7-11-20/h2-13,21,27H,14-17H2,1H3,(H,26,32)(H,29,30)