Basic information
- Standard SMILES
CNCC(=O)C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O- InChIKey
CRARXDCNCFNXTA-QHSNHLGFSA-N- Molecular formula
- C13H21N3O4S
- Average molar mass
- 315.39 g/mol
Names & identifiers
- Preferred name
- (n-Methyl)glycyl biotin
- IUPAC
- 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-[2-(methylamino)acetyl]pentanoic acid
Names & synonyms
n-methyl glycyl-biotinn-methyl-glycyl-biotin(n-methyl)glycyl biotinSCHEMBL7258710CRARXDCNCFNXTA-QHSNHLGFSA-N
Database identifiers
- PubChem CID
- 53735751
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 432
Related reactions
22 records
Compound notes
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