Basic information
- Standard SMILES
CO[C@H]1CC[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](O)Cc3ccc(O)cc3)C(=O)N[C@H](CC(C)C)C(=O)N12- InChIKey
ZXKMRIUULRZARB-DTHICJPYSA-N- Molecular formula
- C50H72N8O13
- Average molar mass
- 993.2 g/mol
- Monoisotopic mass
- 992.52188438
Overview
ZXKMRIUULRZARB-DTHICJPYSA-N has been reported in Microcystis aeruginosa with data available.
Names & identifiers
- Preferred name
- (2S)-N-[(3R,6R,7R,10S,13R,16R,19R,22S)-13-benzyl-22-methoxy-7,14-dimethyl-3,16-bis(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10-propan-2-yl-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide
- IUPAC
- (2S)-N-[(3R,6R,7R,10S,13R,16R,19R,22S)-13-benzyl-22-methoxy-7,14-dimethyl-3,16-bis(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-10-propan-2-yl-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]butanediamide
Database identifiers
- PubChem CID
- 155802461
- DTXSID
DTXSID601334321
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 16
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,870
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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