PDB CCD ID: | T0I |
Number of entries in BioLiP: | 0 |
Chemical formula: | C12 H13 N3 O4 |
InChI: | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1 |
InChIKey: | DUYCPVVOPMGSFC-QMMMGPOBSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.352 | N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O | OpenEye OEToolkits 1.6.1 | c1cn(cn1)c2cc(c(cc2O)O)CC(C(=O)O)N | OpenEye OEToolkits 1.6.1 | c1cn(cn1)c2cc(c(cc2O)O)C[C@@H](C(=O)O)N | CACTVS 3.352 | N[C@@H](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O |
|
Name: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid |
ZINC: | ZINC000066166428 |