tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[[2-(ethanoylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-4-phenyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-4-phenylbutyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(acetylsulfanylmethyl)-4-phenylbutanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(acetylthio)methyl]-4-phenyl-butanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCC1=CC=CC=C1)CSC(=O)C

InChI

InChI=1S/C23H35NO4S/c1-16(2)14-20(22(27)28-23(4,5)6)24-21(26)19(15-29-17(3)25)13-12-18-10-8-7-9-11-18/h7-11,16,19-20H,12-15H2,1-6H3,(H,24,26)