tert-butyl N-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate; methylsulfanium; iodide

Systemtic Name: tert-butyl N-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate; methylsulfanium; iodide Openeye Name: tert-butyl N-[1-[(tert-butoxycarbonylamino)carbamoyl]-3-methylsulfanyl-propyl]carbamate; methylsulfonium; iodide CAS Name: N-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]carbamic acid tert-butyl ester; methylsulfonium; iodide IUPAC Name: tert-butyl N-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]carbamate; methylsulfanium; iodide Traditional Name: N-[1-[(tert-butoxycarbonylamino)carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester; methylsulfonium; iodide Formula: C16H34IN3O5S2 MolecularWeight: 539.49273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NNC(=O)OC(C)(C)C.C[SH2+].[I-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)NNC(=O)OC(C)(C)C.C[SH2+].[I-]

InChI

InChI=1S/C15H29N3O5S.CH4S.HI/c1-14(2,3)22-12(20)16-10(8-9-24-7)11(19)17-18-13(21)23-15(4,5)6;1-2;/h10H,8-9H2,1-7H3,(H,16,20)(H,17,19)(H,18,21);2H,1H3;1H