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

Systemtic Name: (2S)-2-[(3-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-2-oxochromen-8-yl)methylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-chromen-8-yl)methylamino]-3-hydroxy-propionic acid Formula: C13H12BrNO6 MolecularWeight: 358.14148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C=C(C(=O)O2)Br)CNC(CO)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C2=C1C=C(C(=O)O2)Br)CN[C@@H](CO)C(=O)O)O

InChI

InChI=1S/C13H12BrNO6/c14-8-3-6-1-2-10(17)7(11(6)21-13(8)20)4-15-9(5-16)12(18)19/h1-3,9,15-17H,4-5H2,(H,18,19)/t9-/m0/s1