2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]propanoic acid IUPAC Name: 2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]propanoic acid Traditional Name: 2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]propionic acid Formula: C44H40N2O3S MolecularWeight: 676.865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)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

CC(C(=O)O)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/C44H40N2O3S/c1-33(42(48)49)45-41(47)40(46-43(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36)32-50-44(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39/h2-31,33,40,46H,32H2,1H3,(H,45,47)(H,48,49)