[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-fluorophenyl)sulfonyl-2-pyrrolidinecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H22FN3O6S MolecularWeight: 415.436483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=CC=C2F

InChI

InChI=1S/C17H22FN3O6S/c1-10(2)14(15(22)20-17(19)24)27-16(23)12-7-5-9-21(12)28(25,26)13-8-4-3-6-11(13)18/h3-4,6,8,10,12,14H,5,7,9H2,1-2H3,(H3,19,20,22,24)/t12-,14+/m0/s1