(2S)-2-azanyl-4-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]pentanedioic acid

Systemtic Name: (2S)-2-azanyl-4-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]pentanedioic acid Openeye Name: (2S)-2-amino-4-[(6-bromo-7-hydroxy-2-oxo-chromen-4-yl)methyl]pentanedioic acid CAS Name: (2S)-2-amino-4-[(6-bromo-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]pentanedioic acid IUPAC Name: (2S)-2-amino-4-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methyl]pentanedioic acid Traditional Name: (2S)-2-amino-4-[(6-bromo-7-hydroxy-2-keto-chromen-4-yl)methyl]glutaric acid Formula: C15H14BrNO7 MolecularWeight: 400.17816

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)CC(CC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=C(C2=CC(=C(C=C2OC1=O)O)Br)CC(C[C@@H](C(=O)O)N)C(=O)O

InChI

InChI=1S/C15H14BrNO7/c16-9-4-8-6(3-13(19)24-12(8)5-11(9)18)1-7(14(20)21)2-10(17)15(22)23/h3-5,7,10,18H,1-2,17H2,(H,20,21)(H,22,23)/t7?,10-/m0/s1