3-benzamido-2-[(1-isoquinolin-4-ylpiperidin-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-benzamido-2-[(1-isoquinolin-4-ylpiperidin-4-yl)carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[1-(4-isoquinolyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[1-(4-isoquinolinyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[(1-isoquinolin-4-ylpiperidine-4-carbonyl)amino]propanoic acid Traditional Name: 3-benzamido-2-[[1-(4-isoquinolyl)isonipecotoyl]amino]propionic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CNC(=O)C2=CC=CC=C2)C(=O)O)C3=CN=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC(CNC(=O)C2=CC=CC=C2)C(=O)O)C3=CN=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N4O4/c30-23(17-6-2-1-3-7-17)27-15-21(25(32)33)28-24(31)18-10-12-29(13-11-18)22-16-26-14-19-8-4-5-9-20(19)22/h1-9,14,16,18,21H,10-13,15H2,(H,27,30)(H,28,31)(H,32,33)