(4-nitrophenyl)methyl 2-(3-azanylpyrrolidin-1-yl)-2-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-azanylpyrrolidin-1-yl)-2-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-aminopyrrolidin-1-yl)-2-methyl-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(3-amino-1-pyrrolidinyl)-2-methyl-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-aminopyrrolidin-1-yl)-2-methyl-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(3-aminopyrrolidino)-2-methyl-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C36H38N4O4S MolecularWeight: 622.77632

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(C6)N

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCC(C6)N

InChI

InChI=1S/C36H38N4O4S/c1-35(38-22-21-31(37)24-38)23-33(25-39(35)34(41)44-26-27-17-19-32(20-18-27)40(42)43)45-36(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,31,33H,21-26,37H2,1H3