tert-butyl 2-[3-(phenylcarbonylsulfanyl)propanoyl-(4-phenylcyclohexyl)amino]ethanoate

Systemtic Name: tert-butyl 2-[3-(phenylcarbonylsulfanyl)propanoyl-(4-phenylcyclohexyl)amino]ethanoate Openeye Name: tert-butyl 2-[3-benzoylsulfanylpropanoyl-(4-phenylcyclohexyl)amino]acetate CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-benzoylsulfanylpropanoyl-(4-phenylcyclohexyl)amino]acetate Traditional Name: 2-[3-(benzoylthio)propanoyl-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester Formula: C28H35NO4S MolecularWeight: 481.6468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1CCC(CC1)C2=CC=CC=C2)C(=O)CCSC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1CCC(CC1)C2=CC=CC=C2)C(=O)CCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H35NO4S/c1-28(2,3)33-26(31)20-29(24-16-14-22(15-17-24)21-10-6-4-7-11-21)25(30)18-19-34-27(32)23-12-8-5-9-13-23/h4-13,22,24H,14-20H2,1-3H3