methyl 2-acetamido-3-[2-[cyclohex-2-en-1-yl(oxidanyl)methyl]-4-ethyl-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-ethyl-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]-4-ethyl-3-hydroxy-3-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanyl-propanoate CAS Name: 2-acetamido-3-[[[2-[1-cyclohex-2-enyl(hydroxy)methyl]-4-ethyl-3-hydroxy-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]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoate Traditional Name: 2-acetamido-3-[[2-[cyclohex-2-en-1-yl(hydroxy)methyl]-4-ethyl-3-hydroxy-5-keto-3-methyl-prolyl]thio]propionic acid methyl ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NC(C1(C)O)(C(C2CCCC=C2)O)C(=O)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CCC1C(=O)NC(C1(C)O)(C(C2CCCC=C2)O)C(=O)SCC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H32N2O7S/c1-5-14-17(26)23-21(20(14,3)29,16(25)13-9-7-6-8-10-13)19(28)31-11-15(18(27)30-4)22-12(2)24/h7,9,13-16,25,29H,5-6,8,10-11H2,1-4H3,(H,22,24)(H,23,26)