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

Systemtic Name: (2S)-2-azanyl-3-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxo-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxy-propanoic acid CAS Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy-hydroxyphosphoryl]oxypropanoic acid IUPAC Name: (2S)-2-amino-3-[(6-bromo-7-methoxy-2-oxochromen-4-yl)methoxy-hydroxyphosphoryl]oxypropanoic acid Traditional Name: (2S)-2-amino-3-[(6-bromo-2-keto-7-methoxy-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxy-propionic acid Formula: C14H15BrNO9P MolecularWeight: 452.147961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=CC(=O)OC2=C1)COP(=O)(O)OCC(C(=O)O)N)Br

Isomeric SMILES

COC1=C(C=C2C(=CC(=O)OC2=C1)COP(=O)(O)OC[C@@H](C(=O)O)N)Br

InChI

InChI=1S/C14H15BrNO9P/c1-22-12-4-11-8(3-9(12)15)7(2-13(17)25-11)5-23-26(20,21)24-6-10(16)14(18)19/h2-4,10H,5-6,16H2,1H3,(H,18,19)(H,20,21)/t10-/m0/s1