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

Systemtic Name: (2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]propanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]propanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]propionic acid Formula: C14H14BrNO5 MolecularWeight: 356.16866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO5/c1-6-8-3-4-10(17)9(5-16-7(2)13(18)19)12(8)21-14(20)11(6)15/h3-4,7,16-17H,5H2,1-2H3,(H,18,19)/t7-/m0/s1