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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(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(=O)OCC(=O)NC(=O)NC(C)(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-12(17(26)29-11-16(25)23-19(28)24-20(2,3)4)22-18(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,5-11H2,1-4H3,(H,22,27)(H2,23,24,25,28)/t12-,13?,14?,15?,21?/m0/s1