[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylethanoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4S/c1-14(28-19(25)13-29-18-5-3-2-4-6-18)20(26)23-21(27)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H2,23,24,26,27)/t14-,15?,16?,17?,22?/m1/s1