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

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-3-hydroxy-butanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-3-hydroxybutanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]-3-hydroxybutanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]-3-hydroxy-butyric acid Formula: C14H14BrNO6 MolecularWeight: 372.16806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O)O

Isomeric SMILES

CC([C@@H](C(=O)O)NCC1=C(C=CC2=C1OC(=O)C(=C2)Br)O)O

InChI

InChI=1S/C14H14BrNO6/c1-6(17)11(13(19)20)16-5-8-10(18)3-2-7-4-9(15)14(21)22-12(7)8/h2-4,6,11,16-18H,5H2,1H3,(H,19,20)/t6?,11-/m0/s1