(2S)-3-(1H-indol-3-yl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]propionic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H18N4O4/c1-25-20(27)15-8-3-2-7-14(15)18(24-25)19(26)23-17(21(28)29)10-12-11-22-16-9-5-4-6-13(12)16/h2-9,11,17,22H,10H2,1H3,(H,23,26)(H,28,29)/t17-/m0/s1