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

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propanoate Openeye Name: (2R)-3-(4-hydroxyphenyl)-2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propanoate IUPAC Name: (2R)-3-(4-hydroxyphenyl)-2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]propanoate Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]propionate Formula: C22H22N3O5- MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C22H23N3O5/c1-13(2)12-25-21(28)17-6-4-3-5-16(17)19(24-25)20(27)23-18(22(29)30)11-14-7-9-15(26)10-8-14/h3-10,13,18,26H,11-12H2,1-2H3,(H,23,27)(H,29,30)/p-1/t18-/m1/s1