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

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-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-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-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-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O7S MolecularWeight: 453.50928

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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)NC3CC3)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)NC3CC3)O)C

InChI

InChI=1S/C20H27N3O7S/c1-11-4-7-16(8-12(11)2)31(28,29)23-10-15(24)9-17(23)19(26)30-13(3)18(25)22-20(27)21-14-5-6-14/h4,7-8,13-15,17,24H,5-6,9-10H2,1-3H3,(H2,21,22,25,27)/t13?,15?,17-/m0/s1