XPL
Summary
| Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
| Synonyms: | 4-amino reduced pyrrolysine |
| Formula: | C12 H24 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 272.344 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[[(2R,3R,5R)-5-azanyl-3-methyl-pyrrolidin-2-yl]carbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C |
| InChI | InChI | 1.03 | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | BUXWWMHLAXRADI-UTINFBMNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](N)N[C@H]1C(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH]1C[CH](N)N[CH]1C(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1C[C@@H](N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1CC(NC1C(=O)NCCCCC(C(=O)O)N)N |
