methyl (2R)-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2R)-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]propanoate CAS Name: (2R)-3-hydroxy-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-hydroxy-2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]propionic acid methyl ester Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N[C@H](CO)C(=O)OC

InChI

InChI=1S/C15H17N3O5/c1-18-14(21)10-6-4-3-5-9(10)11(17-18)7-13(20)16-12(8-19)15(22)23-2/h3-6,12,19H,7-8H2,1-2H3,(H,16,20)/t12-/m1/s1