Basic information
- CAS
61394-76-1- Standard SMILES
CNC(CCN=C(N)N)CC(=O)NC1CNC(=O)C(C2CC(O)N=C(N)N2)NC(=O)/C(=C\NC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O- InChIKey
WXHGVZMTCYBKFX-NTUHNPAUSA-N- Molecular formula
- C26H45N15O10
- Average molar mass
- 727.7 g/mol
- Monoisotopic mass
- 727.34738269
Names & identifiers
- Preferred name
- Antibiotic LL BB 547-beta
- IUPAC
- N-[(6E)-3-(2-amino-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]-5-(diaminomethylideneamino)-3-(methylamino)pentanamide
Names & synonyms
Antibiotic LL BB 547-betaRefChem:1077071BRN 0877058LL-BB-547-B''61394-76-1
Database identifiers
- CAS
61394-76-1- PubChem CID
- 3045994
Properties
Computed structural properties
- XLogP
- -7.4
- Topological polar surface area
- 417 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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