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

Systemtic Name: ethyl 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoate Openeye Name: ethyl 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]propanoate CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]propanoate Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]propionic acid ethyl ester Formula: C46H44N2O3S MolecularWeight: 704.91816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)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)C(C)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/C46H44N2O3S/c1-3-51-44(50)35(2)47-43(49)42(48-45(36-22-10-4-11-23-36,37-24-12-5-13-25-37)38-26-14-6-15-27-38)34-52-46(39-28-16-7-17-29-39,40-30-18-8-19-31-40)41-32-20-9-21-33-41/h4-33,35,42,48H,3,34H2,1-2H3,(H,47,49)