6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid
6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid
Also Known As: Biotin-X|Biotin X|6-biotinamidohexanoic acid|N-Biotinylcaproic Acid|Biotin-LC|(+)-Biotin-LC|Biotin-Hex-OH|N-Biotinyl-6-aminohexanoic Acid|biotin caproic acid|Biotin aminocaproic acid|(+)-Biotin-epsilon-aminocaproic acid|N-(+)-Biotinyl-6-aminohexanoic acid|Biotinyl-epsilonAhx-OH|E-AMINO BIOTINYL CAPROIC ACID|6-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)hexanoic acid|6-(Biotinylamino)caproic acid|N-(5-Carboxypentyl)biotinamide|TPC-I010|6-((Biotinoyl)amino)hexanoic acid|N-(+)-Biotinyl-6-aminocaproic acid|-BIOTIN-EPSILON-AMINOCAPROICACID|CB-1079|DS-3894|6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
| Molecular Formula | C16H27N3O4S |
|---|---|
| Molecular Weight | 357.17224 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 357.17224 |
| Monoisotopic Mass | 357.17224 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 72040-64-3 |
|---|---|
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 |
| InChIKey | CMUGHZFPFWNUQT-HUBLWGQQSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid (CAS 72040-64-3), with molecular formula C16H27N3O4S and molecular weight 357.17224 g/mol. IUPAC: 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoic acid.