diethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanedioate

Systemtic Name: diethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanedioate Openeye Name: diethyl 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]pentanedioate CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanedioate Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]glutaric acid diethyl ester Formula: C50H50N2O5S MolecularWeight: 791.0074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C50H50N2O5S/c1-3-56-46(53)36-35-44(48(55)57-4-2)51-47(54)45(52-49(38-23-11-5-12-24-38,39-25-13-6-14-26-39)40-27-15-7-16-28-40)37-58-50(41-29-17-8-18-30-41,42-31-19-9-20-32-42)43-33-21-10-22-34-43/h5-34,44-45,52H,3-4,35-37H2,1-2H3,(H,51,54)