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

Systemtic Name: tert-butyl (3S,4S)-3,4-bis[(4-aminocarbonylphenyl)sulfonyl-(phenylmethyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-carbamoylphenyl)sulfonyl-amino]pyrrolidine-1-carboxylate CAS Name: (3S,4S)-3,4-bis[(4-carbamoylphenyl)sulfonyl-(phenylmethyl)amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,4S)-3,4-bis[benzyl-(4-carbamoylphenyl)sulfonylamino]pyrrolidine-1-carboxylate Traditional Name: (3S,4S)-3,4-bis[benzyl-(4-carbamoylphenyl)sulfonyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C37H41N5O8S2 MolecularWeight: 747.88014

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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)C(=O)N)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

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)C(=O)N)N(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C37H41N5O8S2/c1-37(2,3)50-36(45)40-24-32(41(22-26-10-6-4-7-11-26)51(46,47)30-18-14-28(15-19-30)34(38)43)33(25-40)42(23-27-12-8-5-9-13-27)52(48,49)31-20-16-29(17-21-31)35(39)44/h4-21,32-33H,22-25H2,1-3H3,(H2,38,43)(H2,39,44)/t32-,33-/m0/s1