[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-[2-[cyclohexyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]thio]benzoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[cyclohexyl(methyl)amino]-2-keto-ethyl]thio]benzoic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)N(C)C3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=CC=C2SCC(=O)N(C)C3CCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-18(24(29)26-19-11-5-3-6-12-19)31-25(30)21-15-9-10-16-22(21)32-17-23(28)27(2)20-13-7-4-8-14-20/h3,5-6,9-12,15-16,18,20H,4,7-8,13-14,17H2,1-2H3,(H,26,29)/t18-/m1/s1