(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2R)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2R)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)[C@@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c1-15(2)22(25-20(27)11-17-7-5-4-6-8-17)23(29)30-14-18-12-21(28)26-13-16(3)9-10-19(26)24-18/h4-10,12-13,15,22H,11,14H2,1-3H3,(H,25,27)/p+1/t22-/m1/s1