[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H33N3O5/c1-20(2,3)24-19(28)23-16(25)12-29-17(26)4-5-22-18(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-12H2,1-3H3,(H,22,27)(H2,23,24,25,28)