(2R)-3-(4-hydroxyphenyl)-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoic acid

Systemtic Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]propanoic acid Openeye Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]propanoic acid CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]amino]propanoic acid IUPAC Name: (2R)-3-(4-hydroxyphenyl)-2-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]propanoic acid Traditional Name: (2R)-2-[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C23H25N3O5/c1-2-3-6-13-26-22(29)18-8-5-4-7-17(18)20(25-26)21(28)24-19(23(30)31)14-15-9-11-16(27)12-10-15/h4-5,7-12,19,27H,2-3,6,13-14H2,1H3,(H,24,28)(H,30,31)/t19-/m1/s1