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

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]-3-methyl-butyric acid Formula: C15H16BrNO5 MolecularWeight: 370.19524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO5/c1-7(2)12(14(19)20)17-6-9-11(18)4-3-8-5-10(16)15(21)22-13(8)9/h3-5,7,12,17-18H,6H2,1-2H3,(H,19,20)/t12-/m0/s1