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

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-aminocarbonylpyrrolidin-1-yl)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-carbamoylpyrrolidin-1-yl)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-carbamoyl-1-pyrrolidinyl)methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-carbamoylpyrrolidin-1-yl)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-carbamoylpyrrolidino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H38N4O5S MolecularWeight: 650.78642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1CC(N(C1)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C37H38N4O5S/c38-35(42)34-17-10-22-39(34)24-32-23-33(25-40(32)36(43)46-26-27-18-20-31(21-19-27)41(44)45)47-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,18-21,32-34H,10,17,22-26H2,(H2,38,42)