(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C24H29N3O4 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(C)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)[C@H](C)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O4/c1-14-4-3-5-27-20(28)9-19(26-21(14)27)13-31-22(29)15(2)25-23(30)24-10-16-6-17(11-24)8-18(7-16)12-24/h3-5,9,15-18H,6-8,10-13H2,1-2H3,(H,25,30)/t15-,16?,17?,18?,24?/m0/s1