Basic information
- Standard SMILES
CCCCCCC[C@@H](NC)[C@@H](O)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C- InChIKey
ZMXDUWZRGQQFIH-MLMLQBJQSA-N- Molecular formula
- C41H63N5O9
- Average molar mass
- 770 g/mol
- Monoisotopic mass
- 769.4625786
Overview
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid has been reported in Microcystis aeruginosa with data available.
Names & identifiers
- Preferred name
- N-[(2R,3R)-2-Hydroxy-3-(methylamino)decanoyl]-L-valyl-N-methyl-L-valyl-N-methyl-L-tyrosyl-L-tyrosine
- IUPAC
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R,3R)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Names & synonyms
DTXSID901334275N-[(2R,3R)-2-Hydroxy-3-(methylamino)decanoyl]-L-valyl-N-methyl-L-valyl-N-methyl-L-tyrosyl-L-tyrosine
Database identifiers
- PubChem CID
- 155802455
- DTXSID
DTXSID901334275
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 23
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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