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

Systemtic Name: methyl (2R)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2R)-3-hydroxy-2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: (2R)-3-hydroxy-2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-hydroxy-2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]propanoate Traditional Name: (2R)-3-hydroxy-2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-10(2)8-20-16(23)12-7-5-4-6-11(12)14(19-20)15(22)18-13(9-21)17(24)25-3/h4-7,10,13,21H,8-9H2,1-3H3,(H,18,22)/t13-/m1/s1