(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylprop-2-ynyl)amino]propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylprop-2-ynyl)amino]propanoic acid Openeye Name: (2S)-2-[tert-butoxycarbonyl-[3-(3-pyridyl)prop-2-ynyl]amino]propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-(3-pyridinyl)prop-2-ynyl]amino]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-(3-pyridin-3-ylprop-2-ynyl)amino]propanoic acid Traditional Name: (2S)-2-[tert-butoxycarbonyl-[3-(3-pyridyl)prop-2-ynyl]amino]propionic acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC#CC1=CN=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)O)N(CC#CC1=CN=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H20N2O4/c1-12(14(19)20)18(15(21)22-16(2,3)4)10-6-8-13-7-5-9-17-11-13/h5,7,9,11-12H,10H2,1-4H3,(H,19,20)/t12-/m0/s1