S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[(2-acetamido-3-tritylsulfanyl-propanoyl)amino]ethyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[2-acetamido-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]ethyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[[2-acetamido-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C31H36N2O3S2 MolecularWeight: 548.75914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C(C)(C)C

InChI

InChI=1S/C31H36N2O3S2/c1-23(34)33-27(28(35)32-20-21-37-29(36)30(2,3)4)22-38-31(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,27H,20-22H2,1-4H3,(H,32,35)(H,33,34)