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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H34N4O5 MolecularWeight: 422.51846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H34N4O5/c1-20(2,3)24-19(29)23-16(26)12-30-17(27)4-5-22-18(28)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,4-12H2,1-3H3,(H2,22,25,28)(H2,23,24,26,29)