(4-methylsulfanylphenyl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [4-(methylthio)benzyl] ester Formula: C24H31NO3S MolecularWeight: 413.57284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H31NO3S/c1-16(2)21(23(27)28-15-17-7-13-20(29-6)14-8-17)25-22(26)18-9-11-19(12-10-18)24(3,4)5/h7-14,16,21H,15H2,1-6H3,(H,25,26)/t21-/m0/s1