ethyl 2-[(2-azanyl-4-methylsulfanyl-butanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate; methylsulfanium; iodide

Systemtic Name: ethyl 2-[(2-azanyl-4-methylsulfanyl-butanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethanoate; methylsulfanium; iodide Openeye Name: ethyl 2-[(2-amino-4-methylsulfanyl-butanoyl)-tert-butoxycarbonyl-amino]acetate; methylsulfonium; iodide CAS Name: 2-[[2-amino-4-(methylthio)-1-oxobutyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid ethyl ester; methylsulfonium; iodide IUPAC Name: ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate; methylsulfanium; iodide Traditional Name: 2-[[2-amino-4-(methylthio)butanoyl]-tert-butoxycarbonyl-amino]acetic acid ethyl ester; methylsulfonium; iodide Formula: C15H31IN2O5S2 MolecularWeight: 510.45151

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)C(CCSC)N)C(=O)OC(C)(C)C.C[SH2+].[I-]

Isomeric SMILES

CCOC(=O)CN(C(=O)C(CCSC)N)C(=O)OC(C)(C)C.C[SH2+].[I-]

InChI

InChI=1S/C14H26N2O5S.CH4S.HI/c1-6-20-11(17)9-16(13(19)21-14(2,3)4)12(18)10(15)7-8-22-5;1-2;/h10H,6-9,15H2,1-5H3;2H,1H3;1H