| PDB CCD ID: | 5XN |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H14 Cl N6 O4 |
| InChI: | InChI=1S/C14H13ClN6O4/c15-8-3-1-2-7(4-8)6-21-18-12(17-20-21)11-9(13(22)19-25-11)5-10(16)14(23)24/h1-4,10H,5-6,16H2,(H,19,22)(H,23,24)/p+1/t10-/m0/s1 |
| InChIKey: | DZGCRPQMBJOQHX-JTQLQIEISA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+] | | OpenEye OEToolkits 2.0.4 | c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)CC(C(=O)O)[NH3+] | | CACTVS 3.385 | [NH3+][CH](CC1=C(ONC1=O)c2nnn(Cc3cccc(Cl)c3)n2)C(O)=O | | ACDLabs 12.01 | C=1(C(NOC=1c2nnn(n2)Cc3cc(ccc3)Cl)=O)CC([NH3+])C(=O)O | | CACTVS 3.385 | [NH3+][C@@H](CC1=C(ONC1=O)c2nnn(Cc3cccc(Cl)c3)n2)C(O)=O |
|
| Name: | (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium |
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