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

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-1-(3,4-dimethylphenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-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-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31N3O7S MolecularWeight: 481.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC(C)C(=O)NC(=O)NC3CCCC3)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)NC3CCCC3)O)C

InChI

InChI=1S/C22H31N3O7S/c1-13-8-9-18(10-14(13)2)33(30,31)25-12-17(26)11-19(25)21(28)32-15(3)20(27)24-22(29)23-16-6-4-5-7-16/h8-10,15-17,19,26H,4-7,11-12H2,1-3H3,(H2,23,24,27,29)/t15?,17?,19-/m0/s1