tert-butyl (3S,4S)-3-oxidanyl-4-(3-phenylsulfanylpropylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-oxidanyl-4-(3-phenylsulfanylpropylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-hydroxy-4-(3-phenylsulfanylpropylamino)pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-hydroxy-4-[3-(phenylthio)propylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-hydroxy-4-(3-phenylsulfanylpropylamino)pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-hydroxy-4-[3-(phenylthio)propylamino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)O)NCCCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)NCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)20-12-15(16(21)13-20)19-10-7-11-24-14-8-5-4-6-9-14/h4-6,8-9,15-16,19,21H,7,10-13H2,1-3H3/t15-,16-/m0/s1