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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

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