(2S,4R)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-hydroxy-1-(3-methyl-4-oxo-phthalazine-1-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-4-hydroxy-1-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-4-hydroxy-1-(3-methyl-4-oxophthalazine-1-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-hydroxy-1-(4-keto-3-methyl-phthalazine-1-carbonyl)proline Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC(CC3C(=O)O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3C[C@@H](C[C@H]3C(=O)O)O

InChI

InChI=1S/C15H15N3O5/c1-17-13(20)10-5-3-2-4-9(10)12(16-17)14(21)18-7-8(19)6-11(18)15(22)23/h2-5,8,11,19H,6-7H2,1H3,(H,22,23)/t8-,11+/m1/s1