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

Systemtic Name: (2S)-2-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-phenyl-propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-13(2)24-20(26)16-11-7-6-10-15(16)18(23-24)19(25)22-17(21(27)28)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H,22,25)(H,27,28)/t17-/m0/s1