Basic information
- Standard SMILES
CC[C@@H](C)C1NC(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](CC(C)C)N2C(=O)[C@@H](CC[C@@H]2O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)[C@@H](C)OC1=O- InChIKey
ZRKGXBXTXWRIOY-VXFBRUNQSA-N- Molecular formula
- C51H74N8O14
- Average molar mass
- 1,023.2 g/mol
- Monoisotopic mass
- 1,022.53244906
Names & identifiers
- Preferred name
- Aeruginopeptin 917SC
- IUPAC
- (2R)-N-[(2R,5R,11R,12R,15R,18R,21S)-8-[(2R)-butan-2-yl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2,15-bis(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]pentanediamide
Names & synonyms
Aeruginopeptin 917SC
Database identifiers
- PubChem CID
- 155802457
- DTXSID
DTXSID101334295
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 336 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 17
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,920
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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