dimethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioate

Systemtic Name: dimethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioate Openeye Name: dimethyl 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]butanedioate CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanedioate Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]succinic acid dimethyl ester Formula: C47H44N2O5S MolecularWeight: 748.92766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)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

COC(=O)CC(C(=O)OC)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/C47H44N2O5S/c1-53-43(50)33-41(45(52)54-2)48-44(51)42(49-46(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37)34-55-47(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,41-42,49H,33-34H2,1-2H3,(H,48,51)