2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-2-ylsulfanyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-quinolylsulfanyl)propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-quinolinylthio)propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-2-ylsulfanylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-quinolylthio)propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=NC2=CC=CC=C2C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=NC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-17(2,3)23-16(22)19-13(15(20)21)10-24-14-9-8-11-6-4-5-7-12(11)18-14/h4-9,13H,10H2,1-3H3,(H,19,22)(H,20,21)