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

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl (3R)-3-phenyl-3-ureido-propanoate CAS Name: (3R)-3-(carbamoylamino)-3-phenylpropanoic 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 (3R)-3-(carbamoylamino)-3-phenylpropanoate Traditional Name: (3R)-3-phenyl-3-ureido-propionic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-7-8-17-22-15(9-18(25)24(17)11-13)12-28-19(26)10-16(23-20(21)27)14-5-3-2-4-6-14/h2-9,11,16H,10,12H2,1H3,(H3,21,23,27)/p+1/t16-/m1/s1