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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H38N2O4 MolecularWeight: 442.59092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCNC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)CCNC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H38N2O4/c29-22(25-9-16-3-17(10-25)5-18(4-16)11-25)15-32-23(30)1-2-27-24(31)28-26-12-19-6-20(13-26)8-21(7-19)14-26/h16-21H,1-15H2,(H2,27,28,31)