(2S)-3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC(CC3=CC=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H17N3O5/c23-12-7-5-11(6-8-12)9-16(19(26)27)20-17(24)10-15-13-3-1-2-4-14(13)18(25)22-21-15/h1-8,16,23H,9-10H2,(H,20,24)(H,22,25)(H,26,27)/t16-/m0/s1