Iturin D
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Basic information
- CAS
108956-22-5- Standard SMILES
CCCCCCCCCCCC1CC(=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)N2CCCC2C(=O)NC(CC(N)=O)C(=O)NC(CO)C(=O)N1- InChIKey
HNAPWDKFUSLFFE-UHFFFAOYSA-N- Molecular formula
- C48H74N12O14
- Average molar mass
- 1,043.2 g/mol
- Monoisotopic mass
- 1,042.54474508
Overview
Iturin D has been reported in Bacillus subtilis with data available.
Names & identifiers
- Preferred name
- Iturin D
- IUPAC
- 3-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
- English name
- Iturin D
- Molecular formula
- C48H74N12O14
- Molecular weight
- 1043.17316
Names & synonyms
Iturin DIturin-D108956-22-53-[6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide3-(6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-((4-hydroxyphenyl)methyl)-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo(23.3.0)octacosan-3-yl)propanamideRefChem:92384883785-07-3Iturin A 2 8Iturin A2MEGxm0_000309orb1992464SCHEMBL29414461
Show more names
ACon0_000702AKOS040734264T124119
Database identifiers
- CAS
108956-22-5、83785-07-3- PubChem CID
- 158570
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- Topological polar surface area
- 437 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 22
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,980
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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