Neocopiamycin
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Basic information
- CAS
89989-28-6- Standard SMILES
CC(CCC/C=C/CCCN=C(N)N)CC(C)C1OC(=O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C\C1C)CC(O)C2O- InChIKey
GZWCSBWYVZFWGF-HLARTDLKSA-N- Molecular formula
- C53H93N3O17
- Average molar mass
- 1,044.3 g/mol
- Monoisotopic mass
- 1,043.65049851
Overview
Neocopiamycin A has been reported in Streptomyces with data available.
Names & identifiers
- Preferred name
- Neocopiamycin
- IUPAC
- 3-[[(10Z,16E)-13-[(E)-12-(diaminomethylideneamino)-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
- English name
- Neocopiamycin A
- Molecular formula
- C53H93N3O17
- Molecular weight
- 1044.32
Names & synonyms
NeocopiamycinCopiamycin, 54-demethyl-SCHEMBL30617881Neocopiamycin A
Database identifiers
- CAS
89989-28-6- PubChem CID
- 6440918
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 366 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 15
- Heavy atoms
- 73
- Formal charge
- 0
- Complexity
- 1,750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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