(2S)-2-azanyl-3-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy-oxidanyl-phosphoryl]oxy-butanoic acid

Systemtic Name: (2S)-2-azanyl-3-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy-oxidanyl-phosphoryl]oxy-butanoic acid Openeye Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxo-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxy-butanoic acid CAS Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy-hydroxyphosphoryl]oxybutanoic acid IUPAC Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxochromen-4-yl)methoxy-hydroxyphosphoryl]oxybutanoic acid Traditional Name: (2S)-2-amino-3-[(6-bromo-2-keto-7-methoxy-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxy-butyric acid Formula: C15H17BrNO9P MolecularWeight: 466.174541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)OP(=O)(O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)OC

Isomeric SMILES

CC([C@@H](C(=O)O)N)OP(=O)(O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)OC

InChI

InChI=1S/C15H17BrNO9P/c1-7(14(17)15(19)20)26-27(21,22)24-6-8-3-13(18)25-11-5-12(23-2)10(16)4-9(8)11/h3-5,7,14H,6,17H2,1-2H3,(H,19,20)(H,21,22)/t7?,14-/m0/s1