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

Systemtic Name: 4-methyl-2-[[2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanyl-propanoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-(tritylamino)-3-tritylsulfanylpropanoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(tritylamino)-3-(tritylthio)propanoyl]amino]valeric acid Formula: C47H46N2O3S MolecularWeight: 718.94474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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)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/C47H46N2O3S/c1-35(2)33-42(45(51)52)48-44(50)43(49-46(36-21-9-3-10-22-36,37-23-11-4-12-24-37)38-25-13-5-14-26-38)34-53-47(39-27-15-6-16-28-39,40-29-17-7-18-30-40)41-31-19-8-20-32-41/h3-32,35,42-43,49H,33-34H2,1-2H3,(H,48,50)(H,51,52)