| PDB CCD ID: | 4WK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H18 N3 O2 |
| InChI: | InChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)/p+1/t5-,6-/m0/s1 |
| InChIKey: | XIMNOSWWKHYSER-WDSKDSINSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC(C)C(C(=O)N)NC(=O)C(C)[NH3+] | | OpenEye OEToolkits 1.9.2 | C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+] | | CACTVS 3.385 | CC(C)[CH](NC(=O)[CH](C)[NH3+])C(N)=O | | CACTVS 3.385 | CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(N)=O | | ACDLabs 12.01 | CC(C)C(C(=O)N)NC(C([NH3+])C)=O |
|
| Name: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium |
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