tert-butyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(phenylcarbonyl)amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-(phenylcarbonyl)amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[benzoyl-[(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]amino]piperidine-1-carboxylate CAS Name: 4-[benzoyl-[(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[benzoyl-[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[benzoyl-[(1S)-1-carbomethoxy-3-(methylthio)propyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C(CCSC)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N([C@@H](CCSC)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H34N2O5S/c1-23(2,3)30-22(28)24-14-11-18(12-15-24)25(19(13-16-31-5)21(27)29-4)20(26)17-9-7-6-8-10-17/h6-10,18-19H,11-16H2,1-5H3/t19-/m0/s1