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

Systemtic Name: S-[2-[[2-(2-methylpropanoylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate Openeye Name: S-[2-[[2-(2-methylpropanoylamino)-3-tritylsulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-[[2-[(2-methyl-1-oxopropyl)amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-(2-methylpropanoylamino)-3-tritylsulfanylpropanoyl]amino]ethyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-[[2-(isobutyrylamino)-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C32H38N2O3S2 MolecularWeight: 562.78572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O3S2/c1-23(2)29(35)34-28(30(36)33-20-21-38-31(37)24(3)4)22-39-32(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-19,23-24,28H,20-22H2,1-4H3,(H,33,36)(H,34,35)