2-[[[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[[5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[[5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C18H22N3O11P MolecularWeight: 487.354541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O

InChI

InChI=1S/C18H22N3O11P/c22-10-3-1-9(2-4-10)7-11(17(26)27)20-33(29,30)31-8-12-14(24)15(25)16(32-12)21-6-5-13(23)19-18(21)28/h1-6,11-12,14-16,22,24-25H,7-8H2,(H,26,27)(H,19,23,28)(H2,20,29,30)