1PI
Summary
| Name: | (3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide |
| Formula: | C9 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 198.265 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-[(2S)-2-amino-3-oxopropyl]piperidine-1-carboximidamide |
| OpenEye OEToolkits | 1.7.0 | (3R)-3-[(2S)-2-azanyl-3-oxo-propyl]piperidine-1-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC(N)CC1CCCN(C(=[N@H])N)C1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C[C@H]1CCCN(C1)C(N)=N)C=O |
| SMILES | CACTVS | 3.370 | N[CH](C[CH]1CCCN(C1)C(N)=N)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/N)\N1CCC[C@@H](C1)C[C@@H](C=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CN(C1)C(=N)N)CC(C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H18N4O/c10-8(6-14)4-7-2-1-3-13(5-7)9(11)12/h6-8H,1-5,10H2,(H3,11,12)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | IRUHYIZUOLOUAT-SFYZADRCSA-N |
