cyclohexyl (3S)-3-azanyl-4-[[2-[(4-methylphenyl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: cyclohexyl (3S)-3-azanyl-4-[[2-[(4-methylphenyl)methylsulfanyl]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: cyclohexyl (3S)-3-amino-4-oxo-4-[2-(p-tolylmethylsulfanyl)anilino]butanoate CAS Name: (3S)-3-amino-4-[2-[(4-methylphenyl)methylthio]anilino]-4-oxobutanoic acid cyclohexyl ester IUPAC Name: cyclohexyl (3S)-3-amino-4-[2-[(4-methylphenyl)methylsulfanyl]anilino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-keto-4-[2-[(4-methylbenzyl)thio]anilino]butyric acid cyclohexyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)C(CC(=O)OC3CCCCC3)N

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC=CC=C2NC(=O)[C@H](CC(=O)OC3CCCCC3)N

InChI

InChI=1S/C24H30N2O3S/c1-17-11-13-18(14-12-17)16-30-22-10-6-5-9-21(22)26-24(28)20(25)15-23(27)29-19-7-3-2-4-8-19/h5-6,9-14,19-20H,2-4,7-8,15-16,25H2,1H3,(H,26,28)/t20-/m0/s1