dimethyl-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butyl]sulfanium iodide

Systemtic Name: dimethyl-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-4-(phenethylamino)butyl]sulfanium iodide Openeye Name: [(3R)-3-(tert-butoxycarbonylamino)-4-oxo-4-(phenethylamino)butyl]-dimethyl-sulfonium iodide CAS Name: dimethyl-[(3R)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-4-(phenethylamino)butyl]sulfonium iodide IUPAC Name: dimethyl-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(phenethylamino)butyl]sulfanium iodide Traditional Name: [(3R)-3-(tert-butoxycarbonylamino)-4-keto-4-(phenethylamino)butyl]-dimethyl-sulfonium iodide Formula: C19H31IN2O3S MolecularWeight: 494.43051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC[S+](C)C)C(=O)NCCC1=CC=CC=C1.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC[S+](C)C)C(=O)NCCC1=CC=CC=C1.[I-]

InChI

InChI=1S/C19H30N2O3S.HI/c1-19(2,3)24-18(23)21-16(12-14-25(4)5)17(22)20-13-11-15-9-7-6-8-10-15;/h6-10,16H,11-14H2,1-5H3,(H-,20,21,22,23);1H/t16-;/m1./s1