Basic information
- Standard SMILES
CCCCCCC[C@@H](N)[C@@H](O)C(=O)N(C)C(CCSC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(OC)cc1)C(=O)O- InChIKey
YBOKOXXNVMZSMN-MWWUBFDHSA-N- Molecular formula
- C35H52N4O8S
- Average molar mass
- 688.9 g/mol
- Monoisotopic mass
- 688.3505858
Overview
Microginin 688 has been reported in Microcystis aeruginosa with data available.
Names & identifiers
- Preferred name
- Microginin 688
- IUPAC
- (2R)-2-[[(2R)-2-[[2-[[(2R,3R)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid
Names & synonyms
Microginin 688(2R)-2-(((2R)-2-((2-(((2R,3R)-3-amino-2-hydroxydecanoyl)-methylamino)-4-methylsulfanylbutanoyl)amino)-3-(4-hydroxyphenyl)propanoyl)amino)-3-(4-methoxyphenyl)propanoic acid(2R)-2-[[(2R)-2-[[2-[[(2R,3R)-3-amino-2-hydroxydecanoyl]-methylamino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acidRefChem:158611(2R)-2-((2R)-2-(2-((2R,3R)-3-amino-2-hydroxy-N-methyldecanamido)-4-(methylthio)butanamido)-3-(4-hydroxyphenyl)propanamido)-3-(4-methoxyphenyl)propanoic acidDTXSID001319545N-[(2R,3R)-3-Amino-2-hydroxydecanoyl]-N-methylmethionyl-D-tyrosyl-O-methyl-D-tyrosine
Database identifiers
- PubChem CID
- 155802435
- DTXSID
DTXSID001319545
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 22
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 974
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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