[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O4/c1-14(21-26-19-5-3-2-4-18(19)22(29)27-21)31-20(28)6-7-25-23(30)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,14-17H,6-13H2,1H3,(H,25,30)(H,26,27,29)/t14-,15?,16?,17?,24?/m1/s1