Bacillomycin Fc
Basic information
- CAS
115088-47-6- Standard SMILES
CCC(C)CCCCCCCCCCC1CC(=O)NC(CC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NCCCCC(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)N1- InChIKey
YXKHGFSEIGETSI-UHFFFAOYSA-N- Molecular formula
- C52H84N12O14
- Average molar mass
- 1,101.3 g/mol
- Monoisotopic mass
- 1,100.6229954
Overview
structure given in first source; isolated from Bacillus subtilis; belongs to iturin groups
Names & identifiers
- Preferred name
- Bacillomycin Fc
- IUPAC
- 3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(1-hydroxyethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazacyclooctacos-3-yl]propanamide
- English name
- Bacillomycin Fc
- Molecular formula
- C52H84N12O14
- Molecular weight
- 1101.29536
Names & synonyms
Bacillomycin Fc115088-47-6RefChem:1162423-[6,12,22-tris(2-amino-2-oxoethyl)-19-(1-hydroxyethyl)-9-[(4-hydroxyphenyl)methyl]-16-(11-methyltridecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazacyclooctacos-3-yl]propanamideSCHEMBL29866020
Database identifiers
- CAS
115088-47-6- PubChem CID
- 3086563
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 446 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 24
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 2,020
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Compound notes
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