[(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(2R)-1-[cyclohexyl(2-thiazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1R)-2-[cyclohexyl(thiazol-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C1CCCCC1)C2=NC=CS2)OC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S2/c1-17(22(29)27(24-25-14-16-33-24)19-11-7-4-8-12-19)31-23(30)20(13-15-32-2)26-21(28)18-9-5-3-6-10-18/h3,5-6,9-10,14,16-17,19-20H,4,7-8,11-13,15H2,1-2H3,(H,26,28)/t17-,20+/m1/s1