(2S)-2-methyl-3-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylamino]propanoic acid

Systemtic Name: (2S)-2-methyl-3-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylamino]propanoic acid Openeye Name: (2S)-3-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylamino]-2-methyl-propanoic acid CAS Name: (2S)-3-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylamino]-2-methylpropanoic acid IUPAC Name: (2S)-3-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylamino]-2-methylpropanoic acid Traditional Name: (2S)-3-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylamino]-2-methyl-propionic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CNCC(C)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CNC[C@H](C)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO6/c1-12(21(25)26)10-22-11-16-17(23)9-8-15-18(24)19(13(2)27-20(15)16)28-14-6-4-3-5-7-14/h3-9,12,22-23H,10-11H2,1-2H3,(H,25,26)/t12-/m0/s1