[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31N3O7S MolecularWeight: 469.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(C[C@H]2C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)O)C

InChI

InChI=1S/C21H31N3O7S/c1-12-7-8-16(9-13(12)2)32(29,30)24-11-15(25)10-17(24)19(27)31-14(3)18(26)22-20(28)23-21(4,5)6/h7-9,14-15,17,25H,10-11H2,1-6H3,(H2,22,23,26,28)/t14?,15?,17-/m0/s1