PCX
Summary
Name: | DEOXYGUANIDINOPROCLAVAMINIC ACID |
Formula: | C9 H16 N4 O3 |
Formal charge: | 0 |
Formula weight: | 228.248 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid |
OpenEye OEToolkits | 1.5.0 | (2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N |
SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O |
SMILES | CACTVS | 3.341 | NC(=N)NCCC[CH](N1CCC1=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O |
SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCC(C(=O)O)N1CCC1=O |
InChI | InChI | 1.03 | InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | UYADDEKIZFRINK-LURJTMIESA-N |