| PDB CCD ID: | B8R |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C13 H27 N3 O3 |
| InChI: | InChI=1S/C13H27N3O3/c1-16(2)12(17)10(14)8-6-4-3-5-7-9-11(15)13(18)19/h10-11H,3-9,14-15H2,1-2H3,(H,18,19)/t10-,11+/m1/s1 |
| InChIKey: | DSPAEOWBCAUTMS-MNOVXSKESA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C(C(CCCCCCCC(N)C(=O)N(C)C)N)(=O)O | | OpenEye OEToolkits 2.0.6 | CN(C)C(=O)[C@@H](CCCCCCC[C@@H](C(=O)O)N)N | | CACTVS 3.385 | CN(C)C(=O)[CH](N)CCCCCCC[CH](N)C(O)=O | | OpenEye OEToolkits 2.0.6 | CN(C)C(=O)C(CCCCCCCC(C(=O)O)N)N | | CACTVS 3.385 | CN(C)C(=O)[C@H](N)CCCCCCC[C@H](N)C(O)=O |
|
| Name: | (2S,10R)-2,10-diamino-11-(dimethylamino)-11-oxoundecanoic acid |
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