tert-butyl (3S,4S)-3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3-[tert-butoxycarbonyl(2-hydroxyethyl)amino]-4-phenylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylthio)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylsulfanylpyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3-[tert-butoxycarbonyl(2-hydroxyethyl)amino]-4-(phenylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)SC2=CC=CC=C2)N(CCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)SC2=CC=CC=C2)N(CCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N2O5S/c1-21(2,3)28-19(26)23-14-17(18(15-23)30-16-10-8-7-9-11-16)24(12-13-25)20(27)29-22(4,5)6/h7-11,17-18,25H,12-15H2,1-6H3/t17-,18-/m0/s1