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

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

C1CN(CC1N)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC1N)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H38N4O4S/c37-31-20-21-38(23-31)24-33-22-34(25-39(33)35(41)44-26-27-16-18-32(19-17-27)40(42)43)45-36(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,31,33-34H,20-26,37H2