[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-12(2)22-19(27)23-16(24)11-28-17(25)3-4-21-18(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h12-15H,3-11H2,1-2H3,(H,21,26)(H2,22,23,24,27)