Basic information
- Standard SMILES
O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21- InChIKey
CMUGHZFPFWNUQT-UHFFFAOYSA-N- Molecular formula
- C16H27N3O4S
- Average molar mass
- 357.5 g/mol
Names & identifiers
- Preferred name
- 6-[5-(2-Oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
- IUPAC
- 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
Names & synonyms
N-Biotinylcaproic Acid6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid6-(5-((3AS,4S,6aR)-2-Oxohexahydro-1H-thieno-[3,4-d]imidazol-4-yl)pentanamido)hexanoic acidC16H27N3O4SSCHEMBL31432456-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexanoic acidCMUGHZFPFWNUQT-UHFFFAOYSA-N(+) Biotinyl-6-aminohexanoic acidAKOS0158943736-[5-(2-Oxohexahydro-2H-thieno[3,4-d]imidazole-4-yl)pentanoylamino]hexanoic acidDA-41584LS-14536
Show more names
Biotin-X, TPC-I010, 14407_FLUKA, E-AMINO BIOTINYL CAPROIC ACID, MolPort-003-926-462, N-(+)-Biotinyl-6-aminohexanoic acid, 6-((Biotinoyl)amino)hexanoic acid, CID446905, N-(+)-Biotinyl-6-aminocaproic acid, (+)-Biotin-epsilon-aminocaproic acid, BH7, 6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID, 72040-64-3Hexanoic acid,6-[[5-[(3as,4s,6ar)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-
Database identifiers
- PubChem CID
- 5162664
- Nikkaji
- J2.022.087B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
1 records
Compound notes
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