Basic information
- Standard SMILES
CN(C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](O)[C@@H](N)CCCCCCl)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)O- InChIKey
ZLZNALHCFDVNII-RKJAVHAZSA-N- Molecular formula
- C32H43ClN4O8
- Average molar mass
- 647.2 g/mol
- Monoisotopic mass
- 646.276942
Overview
Microginin 645 has been reported in Microcystis aeruginosa with data available.
Names & identifiers
- Preferred name
- N-[(2R,3S)-3-Amino-8-chloro-2-hydroxyoctanoyl]-D-tyrosyl-N-methyl-L-tyrosyl-D-proline
- IUPAC
- (2R)-1-[(2S)-2-[[(2R)-2-[[(2R,3S)-3-amino-8-chloro-2-hydroxyoctanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
Names & synonyms
DTXSID301334239N-[(2R,3S)-3-Amino-8-chloro-2-hydroxyoctanoyl]-D-tyrosyl-N-methyl-L-tyrosyl-D-proline
Database identifiers
- PubChem CID
- 155802454
- DTXSID
DTXSID301334239
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 973
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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