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

Systemtic Name: (2S)-2-[(3-bromanyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylamino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[(3-bromo-7-hydroxy-4-methyl-2-oxochromen-8-yl)methylamino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[(3-bromo-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylamino]-3-hydroxy-propionic acid Formula: C14H14BrNO6 MolecularWeight: 372.16806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO6/c1-6-7-2-3-10(18)8(4-16-9(5-17)13(19)20)12(7)22-14(21)11(6)15/h2-3,9,16-18H,4-5H2,1H3,(H,19,20)/t9-/m0/s1