[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC5=C4C=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NC4=CC=CC5=C4C=CC=N5

InChI

InChI=1S/C25H30N4O4/c30-22(28-21-5-1-4-20-19(21)3-2-7-26-20)15-33-23(31)6-8-27-24(32)29-25-12-16-9-17(13-25)11-18(10-16)14-25/h1-5,7,16-18H,6,8-15H2,(H,28,30)(H2,27,29,32)