tert-butyl (2S)-2-[(3S,6R,7aR)-3-aminocarbonyl-5-oxidanylidene-spiro[2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-6,2'-piperidine]-1'-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(3S,6R,7aR)-3-aminocarbonyl-5-oxidanylidene-spiro[2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-6,2'-piperidine]-1'-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(3S,6R,7aR)-3-carbamoyl-5-oxo-spiro[2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-6,2'-piperidine]-1'-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(3S,6R,7aR)-3-carbamoyl-5-oxo-1'-spiro[2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-6,2'-piperidine]yl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(3S,6R,7aR)-3-carbamoyl-5-oxospiro[2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-6,2'-piperidine]-1'-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(3S,6R,7aR)-3-carbamoyl-5-keto-spiro[2,3,7,7a-tetrahydropyrrolo[2,1-b]thiazole-6,2'-piperidine]-1'-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCCCC23CC4N(C3=O)C(CS4)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCCC[C@]23C[C@@H]4N(C3=O)[C@H](CS4)C(=O)N

InChI

InChI=1S/C21H32N4O5S/c1-20(2,3)30-19(29)23-9-6-7-13(23)17(27)24-10-5-4-8-21(24)11-15-25(18(21)28)14(12-31-15)16(22)26/h13-15H,4-12H2,1-3H3,(H2,22,26)/t13-,14+,15+,21+/m0/s1