6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(oxan-2-ylsulfanyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(oxan-2-ylsulfanyl)ethanoylamino]hexanoic acid Openeye Name: 6-(tert-butoxycarbonylamino)-2-[(2-tetrahydropyran-2-ylsulfanylacetyl)amino]hexanoic acid CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[2-(2-oxanylthio)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-(oxan-2-ylsulfanyl)acetyl]amino]hexanoic acid Traditional Name: 6-(tert-butoxycarbonylamino)-2-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]hexanoic acid Formula: C18H32N2O6S MolecularWeight: 404.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)CSC1CCCCO1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)CSC1CCCCO1

InChI

InChI=1S/C18H32N2O6S/c1-18(2,3)26-17(24)19-10-6-4-8-13(16(22)23)20-14(21)12-27-15-9-5-7-11-25-15/h13,15H,4-12H2,1-3H3,(H,19,24)(H,20,21)(H,22,23)