tert-butyl (2S)-2-[[(2S)-4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-3-methylsulfanyl-1-(2-morpholinoethylcarbamoyl)propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-4-(methylthio)-1-[2-(4-morpholinyl)ethylamino]-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-4-methylsulfanyl-1-(2-morpholin-4-ylethylamino)-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-3-(methylthio)-1-(2-morpholinoethylcarbamoyl)propyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H38N4O5S MolecularWeight: 458.61522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC(CCSC)C(=O)NCCN2CCOCC2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)NCCN2CCOCC2

InChI

InChI=1S/C21H38N4O5S/c1-21(2,3)30-20(28)25-9-5-6-17(25)19(27)23-16(7-15-31-4)18(26)22-8-10-24-11-13-29-14-12-24/h16-17H,5-15H2,1-4H3,(H,22,26)(H,23,27)/t16-,17-/m0/s1