ethyl 2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: ethyl 2-[[2-azanyl-3-(triphenylmethyl)sulfanyl-propanoyl]amino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: ethyl 2-[(2-amino-3-tritylsulfanyl-propanoyl)amino]-3-tritylsulfanyl-propanoate CAS Name: 2-[[2-amino-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]-3-[(triphenylmethyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-3-tritylsulfanylpropanoate Traditional Name: 2-[[2-amino-3-(tritylthio)propanoyl]amino]-3-(tritylthio)propionic acid ethyl ester Formula: C46H44N2O3S2 MolecularWeight: 736.98316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H44N2O3S2/c1-2-51-44(50)42(34-53-46(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40)48-43(49)41(47)33-52-45(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37/h3-32,41-42H,2,33-34,47H2,1H3,(H,48,49)