methyl 2-acetamido-3-[2-[cyclohex-2-en-1-yl(oxidanyl)methyl]-4-(2-iodanylethyl)-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[2-[cyclohex-2-en-1-yl(oxidanyl)methyl]-4-(2-iodanylethyl)-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-[2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-iodoethyl)-3-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[[2-[1-cyclohex-2-enyl(hydroxy)methyl]-3-hydroxy-4-(2-iodoethyl)-3-methyl-5-oxo-2-pyrrolidinyl]-oxomethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-iodoethyl)-3-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[2-[cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-iodoethyl)-5-keto-3-methyl-prolyl]thio]propionic acid methyl ester Formula: C21H31IN2O7S MolecularWeight: 582.44951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1(C(C(C(=O)N1)CCI)(C)O)C(C2CCCC=C2)O)C(=O)OC

Isomeric SMILES

CC(=O)NC(CSC(=O)C1(C(C(C(=O)N1)CCI)(C)O)C(C2CCCC=C2)O)C(=O)OC

InChI

InChI=1S/C21H31IN2O7S/c1-12(25)23-15(18(28)31-3)11-32-19(29)21(16(26)13-7-5-4-6-8-13)20(2,30)14(9-10-22)17(27)24-21/h5,7,13-16,26,30H,4,6,8-11H2,1-3H3,(H,23,25)(H,24,27)