| PDB CCD ID: | A1A2K |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C7 H10 N4 O4 |
| InChI: | InChI=1S/C7H10N4O4/c8-5(7(14)15)1-4-2-11(10-9-4)3-6(12)13/h2,5H,1,3,8H2,(H,12,13)(H,14,15)/t5-/m1/s1 |
| InChIKey: | SKGULNXKJSHPGF-RXMQYKEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[C@H](Cc1cn(CC(O)=O)nn1)C(O)=O | | CACTVS 3.385 | N[CH](Cc1cn(CC(O)=O)nn1)C(O)=O | | OpenEye OEToolkits 3.1.0.0 | c1c(nnn1CC(=O)O)C[C@H](C(=O)O)N | | OpenEye OEToolkits 3.1.0.0 | c1c(nnn1CC(=O)O)CC(C(=O)O)N | | ACDLabs 14.52 | OC(=O)Cn1cc(CC(N)C(=O)O)nn1 |
|
| Name: | 3-[1-(carboxymethyl)-1H-1,2,3-triazol-4-yl]-D-alanine |
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