[1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O4/c1-12(2)22-18(25)13(3)27-17(24)4-5-21-19(26)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,4-11H2,1-3H3,(H,22,25)(H2,21,23,26)