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

Systemtic Name: tert-butyl 2-[[(2S)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoate Openeye Name: tert-butyl 2-[[(2S)-3-benzoylsulfanyl-2-methyl-propanoyl]-(4-phenylcyclohexyl)amino]acetate CAS Name: 2-[[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S)-3-benzoylsulfanyl-2-methylpropanoyl]-(4-phenylcyclohexyl)amino]acetate Traditional Name: 2-[[(2S)-3-(benzoylthio)-2-methyl-propanoyl]-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester Formula: C29H37NO4S MolecularWeight: 495.67338

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)OC(C)(C)C)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)OC(C)(C)C)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C29H37NO4S/c1-21(20-35-28(33)24-13-9-6-10-14-24)27(32)30(19-26(31)34-29(2,3)4)25-17-15-23(16-18-25)22-11-7-5-8-12-22/h5-14,21,23,25H,15-20H2,1-4H3/t21-,23?,25?/m1/s1