3-benzamido-2-[(3-bromanyl-1-pyridin-3-yl-piperidin-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-benzamido-2-[(3-bromanyl-1-pyridin-3-yl-piperidin-4-yl)carbonylamino]propanoic acid Openeye Name: 3-benzamido-2-[[3-bromo-1-(3-pyridyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-benzamido-2-[[[3-bromo-1-(3-pyridinyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-benzamido-2-[(3-bromo-1-pyridin-3-ylpiperidine-4-carbonyl)amino]propanoic acid Traditional Name: 3-benzamido-2-[[3-bromo-1-(3-pyridyl)isonipecotoyl]amino]propionic acid Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C(=O)NC(CNC(=O)C2=CC=CC=C2)C(=O)O)Br)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC(C1C(=O)NC(CNC(=O)C2=CC=CC=C2)C(=O)O)Br)C3=CN=CC=C3

InChI

InChI=1S/C21H23BrN4O4/c22-17-13-26(15-7-4-9-23-11-15)10-8-16(17)20(28)25-18(21(29)30)12-24-19(27)14-5-2-1-3-6-14/h1-7,9,11,16-18H,8,10,12-13H2,(H,24,27)(H,25,28)(H,29,30)