| PDB CCD ID: | J13 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H26 N4 O7 |
| InChI: | InChI=1S/C15H26N4O7/c16-19-17-7-5-3-1-2-4-6-8(20)18-10-9(15(25)26)11(21)13(23)14(24)12(10)22/h9-14,21-24H,1-7H2,(H,18,20)(H,25,26)/t9-,10+,11+,12-,13-,14-/m0/s1 |
| InChIKey: | BTDXZNFDEBZDRR-KTEZLCCFSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C1(C(C(C(C(C1)O)O)O)C(=O)[O-])NC(=O)CCCCCCCN=[N+]=[N-] | | OpenEye OEToolkits 1.7.6 | C(CCCC(=O)NC1C(C(C(C(C1O)O)O)O)C(=O)O)CCCN=[N+]=[N-] | | OpenEye OEToolkits 1.7.6 | C(CCCC(=O)N[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O)CCCN=[N+]=[N-] | | CACTVS 3.385 | O[CH]1[CH](O)[CH](O)[CH]([CH](NC(=O)CCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O | | CACTVS 3.385 | O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](NC(=O)CCCCCCCN=[N+]=[N-])[C@@H]1O)C(O)=O |
|
| Name: | (1S,2R,3R,4S,6S)-6-[(8-azidooctanoyl)amino]-2,3,4-trihydroxycyclohexane-1-carboxylate |
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