(2R)-4-methyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]pentanoic acid

Systemtic Name: (2R)-4-methyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]pentanoic acid Openeye Name: (2R)-4-methyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]pentanoic acid CAS Name: (2R)-4-methyl-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]pentanoic acid IUPAC Name: (2R)-4-methyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]pentanoic acid Traditional Name: (2R)-4-methyl-2-[(3-phenylanthranil-5-carbonyl)amino]valeric acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@H](C(=O)O)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4/c1-12(2)10-17(20(24)25)21-19(23)14-8-9-16-15(11-14)18(26-22-16)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,21,23)(H,24,25)/t17-/m1/s1