(2S)-N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide CAS Name: (2S)-N-[3-(4-morpholin-4-iumyl)propyl]-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanamide IUPAC Name: (2S)-N-(3-morpholin-4-ium-4-ylpropyl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide Traditional Name: (2S)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C20H28N5O4+ MolecularWeight: 402.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC[NH+]1CCOCC1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C[C@@H](C(=O)NCCC[NH+]1CCOCC1)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H27N5O4/c1-14(19(27)21-7-4-8-25-9-11-29-12-10-25)22-18(26)13-17-15-5-2-3-6-16(15)20(28)24-23-17/h2-3,5-6,14H,4,7-13H2,1H3,(H,21,27)(H,22,26)(H,24,28)/p+1/t14-/m0/s1