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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C25H35N3O4 MolecularWeight: 441.5631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O4/c29-22(26-9-4-7-18-5-2-1-3-6-18)17-32-23(30)8-10-27-24(31)28-25-14-19-11-20(15-25)13-21(12-19)16-25/h1-3,5-6,19-21H,4,7-17H2,(H,26,29)(H2,27,28,31)