[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H35N3O5/c1-12(18(27)30-13(2)17(26)24-20(29)25-21(3,4)5)23-19(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h12-16H,6-11H2,1-5H3,(H,23,28)(H2,24,25,26,29)/t12-,13+,14?,15?,16?,22?/m0/s1