[(3S)-4-[(3-chlorophenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]-dimethyl-sulfanium iodide

Systemtic Name: [(3S)-4-[(3-chlorophenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]-dimethyl-sulfanium iodide Openeye Name: [(3S)-3-(tert-butoxycarbonylamino)-4-(3-chloroanilino)-4-oxo-butyl]-dimethyl-sulfonium iodide CAS Name: [(3S)-4-(3-chloroanilino)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutyl]-dimethylsulfonium iodide IUPAC Name: [(3S)-4-(3-chloroanilino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]-dimethylsulfanium iodide Traditional Name: [(3S)-3-(tert-butoxycarbonylamino)-4-(3-chloroanilino)-4-keto-butyl]-dimethyl-sulfonium iodide Formula: C17H26ClIN2O3S MolecularWeight: 500.82241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC[S+](C)C)C(=O)NC1=CC(=CC=C1)Cl.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC[S+](C)C)C(=O)NC1=CC(=CC=C1)Cl.[I-]

InChI

InChI=1S/C17H25ClN2O3S.HI/c1-17(2,3)23-16(22)20-14(9-10-24(4)5)15(21)19-13-8-6-7-12(18)11-13;/h6-8,11,14H,9-10H2,1-5H3,(H-,19,20,21,22);1H/t14-;/m0./s1