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

Systemtic Name: (2S)-2-azanyl-3-[4-[(6-bromanyl-7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy-oxidanyl-phosphoryl]oxyphenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[(6-bromo-7-methoxy-2-oxo-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxyphenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[(6-bromo-7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy-hydroxyphosphoryl]oxyphenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[(6-bromo-7-methoxy-2-oxochromen-4-yl)methoxy-hydroxyphosphoryl]oxyphenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[(6-bromo-2-keto-7-methoxy-chromen-4-yl)methoxy-hydroxy-phosphoryl]oxyphenyl]propionic acid Formula: C20H19BrNO9P MolecularWeight: 528.243921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=CC(=O)OC2=C1)COP(=O)(O)OC3=CC=C(C=C3)CC(C(=O)O)N)Br

Isomeric SMILES

COC1=C(C=C2C(=CC(=O)OC2=C1)COP(=O)(O)OC3=CC=C(C=C3)C[C@@H](C(=O)O)N)Br

InChI

InChI=1S/C20H19BrNO9P/c1-28-18-9-17-14(8-15(18)21)12(7-19(23)30-17)10-29-32(26,27)31-13-4-2-11(3-5-13)6-16(22)20(24)25/h2-5,7-9,16H,6,10,22H2,1H3,(H,24,25)(H,26,27)/t16-/m0/s1