tert-butyl (2S,4S)-4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,4S)-4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,4S)-4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-[4-(1,2-benzoxazol-3-yl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-4-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(4-indoxazen-3-ylpiperazino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H33N5O4S MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NOC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)N2CCSC2)N3CCN(CC3)C4=NOC5=CC=CC=C54

InChI

InChI=1S/C24H33N5O4S/c1-24(2,3)32-23(31)29-15-17(14-19(29)22(30)28-12-13-34-16-28)26-8-10-27(11-9-26)21-18-6-4-5-7-20(18)33-25-21/h4-7,17,19H,8-16H2,1-3H3/t17-,19-/m0/s1