(2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoic acid

Systemtic Name: (2S)-2-[[2-methyl-5-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoic acid Openeye Name: (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoic acid CAS Name: (2S)-2-[[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)anilino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]propanoic acid Traditional Name: (2S)-2-[[5-(4-keto-3H-phthalazin-1-yl)-2-methyl-phenyl]carbamoylamino]propionic acid Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)NC(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C19H18N4O4/c1-10-7-8-12(9-15(10)21-19(27)20-11(2)18(25)26)16-13-5-3-4-6-14(13)17(24)23-22-16/h3-9,11H,1-2H3,(H,23,24)(H,25,26)(H2,20,21,27)/t11-/m0/s1