6-(furan-2-ylmethylsulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-hexanoic acid

Systemtic Name: 6-(furan-2-ylmethylsulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-hexanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-6-(2-furylmethylsulfanyl)-5-oxo-hexanoic acid CAS Name: 6-(2-furanylmethylthio)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxohexanoic acid IUPAC Name: 6-(furan-2-ylmethylsulfanyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-6-(2-furfurylthio)-5-keto-hexanoic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)CSCC1=CC=CO1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)CSCC1=CC=CO1

InChI

InChI=1S/C16H23NO6S/c1-16(2,3)23-15(21)17-12(6-7-14(19)20)13(18)10-24-9-11-5-4-8-22-11/h4-5,8,12H,6-7,9-10H2,1-3H3,(H,17,21)(H,19,20)