(4-tert-butylphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-tert-butylphenyl)methyl (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-tert-butylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (4-tert-butylbenzyl) ester Formula: C23H28ClNO3S MolecularWeight: 433.99132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)[C@H](CCSC)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H28ClNO3S/c1-23(2,3)18-9-5-16(6-10-18)15-28-22(27)20(13-14-29-4)25-21(26)17-7-11-19(24)12-8-17/h5-12,20H,13-15H2,1-4H3,(H,25,26)/t20-/m0/s1