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

Systemtic Name: 3-methyl-2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]butyric acid Formula: C46H44N2O3S MolecularWeight: 704.91816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(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)C(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/C46H44N2O3S/c1-34(2)42(44(50)51)47-43(49)41(48-45(35-21-9-3-10-22-35,36-23-11-4-12-24-36)37-25-13-5-14-26-37)33-52-46(38-27-15-6-16-28-38,39-29-17-7-18-30-39)40-31-19-8-20-32-40/h3-32,34,41-42,48H,33H2,1-2H3,(H,47,49)(H,50,51)