Basic information
- Standard SMILES
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CO)N(C)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C- InChIKey
XJANOPPLSDSWNH-XEBJKPBESA-N- Molecular formula
- C46H69N7O13
- Average molar mass
- 928.1 g/mol
- Monoisotopic mass
- 927.49533528
Names & identifiers
- Preferred name
- [NMe-Ser7]MC-LA
- IUPAC
- (2S,5R,8S,11R,12S,15S,18S,19S,22R)-2-(hydroxymethyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
Names & synonyms
[NMe-Ser7]MC-LANS00114687
Database identifiers
- PubChem CID
- 155802417
- DTXSID
DTXSID801334715
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 299 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 12
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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