3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenethylpyridin-3-yl)propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenethylpyridin-3-yl)propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(5-phenethyl-3-pyridyl)propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-phenethyl-3-pyridinyl)propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenethylpyridin-3-yl)propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-(5-phenethyl-3-pyridyl)propionic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CN=CC(=C1)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CN=CC(=C1)CCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)23-18(12-19(24)25)17-11-16(13-22-14-17)10-9-15-7-5-4-6-8-15/h4-8,11,13-14,18H,9-10,12H2,1-3H3,(H,23,26)(H,24,25)