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

Systemtic Name: (2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-hydroxy-butyric acid Formula: C15H16BrNO6 MolecularWeight: 386.19464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNC(C(C)O)C(=O)O)O)Br

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN[C@@H](C(C)O)C(=O)O)O)Br

InChI

InChI=1S/C15H16BrNO6/c1-6-8-3-4-10(19)9(13(8)23-15(22)11(6)16)5-17-12(7(2)18)14(20)21/h3-4,7,12,17-19H,5H2,1-2H3,(H,20,21)/t7?,12-/m0/s1