tert-butyl (3S,4S)-3,4-bis[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-nitrophenyl)sulfonyl-amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[(4-nitrophenyl)sulfonyl-(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-nitrophenyl)sulfonylamino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[benzyl(nosyl)amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C35H37N5O10S2 MolecularWeight: 751.82578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H37N5O10S2/c1-35(2,3)50-34(41)36-24-32(37(22-26-10-6-4-7-11-26)51(46,47)30-18-14-28(15-19-30)39(42)43)33(25-36)38(23-27-12-8-5-9-13-27)52(48,49)31-20-16-29(17-21-31)40(44)45/h4-21,32-33H,22-25H2,1-3H3/t32-,33-/m0/s1