(2S)-3-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylamino]butanoic acid Openeye Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-chromen-6-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-1-benzopyran-6-yl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenylchromen-6-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-hydroxy-2-keto-7-methyl-4-phenyl-chromen-6-yl)methylamino]-3-methyl-butyric acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1CNC(C(C)C)C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1CN[C@@H](C(C)C)C(=O)O)O

InChI

InChI=1S/C22H23NO5/c1-12(2)20(22(26)27)23-11-16-13(3)9-17-19(21(16)25)15(10-18(24)28-17)14-7-5-4-6-8-14/h4-10,12,20,23,25H,11H2,1-3H3,(H,26,27)/t20-/m0/s1