(2S)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-(4-phosphonooxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[2-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-(4-phosphonooxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-2-oxo-chromen-4-yl)acetyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-2-oxochromen-4-yl)acetyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-chromen-4-yl)acetyl]amino]-3-(4-phosphonooxyphenyl)propionic acid Formula: C20H18NO10P MolecularWeight: 463.331381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)NC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)OP(=O)(O)O

InChI

InChI=1S/C20H18NO10P/c22-13-3-6-15-12(9-19(24)30-17(15)10-13)8-18(23)21-16(20(25)26)7-11-1-4-14(5-2-11)31-32(27,28)29/h1-6,9-10,16,22H,7-8H2,(H,21,23)(H,25,26)(H2,27,28,29)/t16-/m0/s1