[(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylpentanoate

Systemtic Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-methylpentanoate Openeye Name: [(1S)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [(2S)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [(1S)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4/c1-12(2)4-5-17(23)26-13(3)18(24)21-19(25)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,4-11H2,1-3H3,(H2,21,22,24,25)/t13-,14?,15?,16?,20?/m0/s1