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

Systemtic Name: S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate Openeye Name: S-[2-[(2-acetamido-3-tritylsulfanyl-propanoyl)amino]ethyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic 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-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-[[2-acetamido-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C30H34N2O3S2 MolecularWeight: 534.73256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3S2/c1-22(2)29(35)36-20-19-31-28(34)27(32-23(3)33)21-37-30(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,22,27H,19-21H2,1-3H3,(H,31,34)(H,32,33)