Basic information
- Standard SMILES
CC[C@@H](C)[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](O)[C@H](N)CCCCCCCCl- InChIKey
XYGVUPXPWWMUAK-UYFULXBISA-N- Molecular formula
- C40H58ClN5O9
- Average molar mass
- 788.4 g/mol
- Monoisotopic mass
- 787.3923061
Overview
Microginin GH787 has been reported in Microcystis with data available.
Names & identifiers
- Preferred name
- N-[(2S,3R)-3-Amino-10-chloro-2-hydroxydecanoyl]-L-tyrosyl-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
- IUPAC
- (2R)-2-[[(2S)-1-[(2R,3R)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
DTXSID501319538N-[(2S,3R)-3-Amino-10-chloro-2-hydroxydecanoyl]-L-tyrosyl-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
Database identifiers
- PubChem CID
- 155802432
- DTXSID
DTXSID501319538
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…