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

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propionic acid Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H18N4O4/c26-19(10-17-14-6-1-2-7-15(14)20(27)25-24-17)23-18(21(28)29)9-12-11-22-16-8-4-3-5-13(12)16/h1-8,11,18,22H,9-10H2,(H,23,26)(H,25,27)(H,28,29)/t18-/m0/s1