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

Systemtic Name: (2S)-2-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]propionic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-3-4-9-19-15(21)12-8-6-5-7-11(12)13(18-19)14(20)17-10(2)16(22)23/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,22,23)/t10-/m0/s1