tert-butyl (2S,5R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-(phenylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-(phenylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-[(tert-butoxycarbonylamino)methyl]-5-(phenylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: (2S,5R)-2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-5-[(phenylthio)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-5-(phenylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-[(tert-butoxycarbonylamino)methyl]-5-[(phenylthio)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(N1C(=O)OC(C)(C)C)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](N1C(=O)OC(C)(C)C)CSC2=CC=CC=C2

InChI

InChI=1S/C22H34N2O4S/c1-21(2,3)27-19(25)23-14-16-12-13-17(15-29-18-10-8-7-9-11-18)24(16)20(26)28-22(4,5)6/h7-11,16-17H,12-15H2,1-6H3,(H,23,25)/t16-,17+/m0/s1