[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-[ethyl(2-methylallyl)amino]-2-oxo-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-[ethyl(2-methylallyl)amino]-2-keto-ethyl] ester Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4/c1-4-25(13-15(2)3)19(26)14-29-20(27)5-6-23-21(28)24-22-10-16-7-17(11-22)9-18(8-16)12-22/h16-18H,2,4-14H2,1,3H3,(H2,23,24,28)