(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)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-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C23H22N4O4/c1-14-6-5-9-27-21(29)11-17(26-22(14)27)13-31-23(30)20(25-15(2)28)10-16-12-24-19-8-4-3-7-18(16)19/h3-9,11-12,20,24H,10,13H2,1-2H3,(H,25,28)/t20-/m0/s1