[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O5/c1-2-22(30)27-20-5-3-19(4-6-20)21(29)15-33-23(31)7-8-26-24(32)28-25-12-16-9-17(13-25)11-18(10-16)14-25/h3-6,16-18H,2,7-15H2,1H3,(H,27,30)(H2,26,28,32)