QIL
Summary
| Name: | N-formyl-L-isoleucine |
| Formula: | C7 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 159.183 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-formyl-L-isoleucine |
| OpenEye OEToolkits | 1.7.2 | (2S,3S)-2-formamido-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CNC(C(=O)O)C(CC)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](C)[C@H](NC=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC[CH](C)[CH](NC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC[C@H](C)[C@@H](C(=O)O)NC=O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CCC(C)C(C(=O)O)NC=O |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | IONXXIKCTQHZNC-WDSKDSINSA-N |
