(2S)-2-[[4-phenyl-1-(2-pyridin-4-ylethanoyl)piperidin-4-yl]carbonylamino]butanedioic acid

Systemtic Name: (2S)-2-[[4-phenyl-1-(2-pyridin-4-ylethanoyl)piperidin-4-yl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-phenyl-1-[2-(4-pyridyl)acetyl]piperidine-4-carbonyl]amino]butanedioic acid CAS Name: (2S)-2-[[oxo-[1-(1-oxo-2-pyridin-4-ylethyl)-4-phenyl-4-piperidinyl]methyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-phenyl-1-(2-pyridin-4-ylacetyl)piperidine-4-carbonyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-phenyl-1-[2-(4-pyridyl)acetyl]isonipecotoyl]amino]succinic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)O)C(=O)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)CC3=CC=NC=C3

InChI

InChI=1S/C23H25N3O6/c27-19(14-16-6-10-24-11-7-16)26-12-8-23(9-13-26,17-4-2-1-3-5-17)22(32)25-18(21(30)31)15-20(28)29/h1-7,10-11,18H,8-9,12-15H2,(H,25,32)(H,28,29)(H,30,31)/t18-/m0/s1