(2S)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]pentanedioate

Systemtic Name: (2S)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]pentanedioate Openeye Name: (2S)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]pentanedioate CAS Name: (2S)-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]pentanedioate IUPAC Name: (2S)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]pentanedioate Traditional Name: (2S)-2-[(3-phenylanthranil-5-carbonyl)amino]glutarate Formula: C19H14N2O6-2 MolecularWeight: 366.32426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H16N2O6/c22-16(23)9-8-15(19(25)26)20-18(24)12-6-7-14-13(10-12)17(27-21-14)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,24)(H,22,23)(H,25,26)/p-2/t15-/m0/s1