Protodestruxin
Basic information
- CAS
38668-43-8- Standard SMILES
CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)NC(=O)C(C(C)C)NC1=O- InChIKey
WLMXKXWQSABLMV-UHFFFAOYSA-N- Molecular formula
- C28H47N5O7
- Average molar mass
- 565.7 g/mol
- Monoisotopic mass
- 565.34754886
Names & identifiers
- Preferred name
- Protodestruxin
- IUPAC
- 16-butan-2-yl-10-methyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Names & synonyms
38668-43-8ProtodestruxinDestruxin protoBDTXSID209595063-(Butan-2-yl)-1,4,7,10-tetrahydroxy-9-methyl-16-(2-methylpropyl)-6-(propan-2-yl)-6,9,12,13,19,20,21,21a-octahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-14,17(3H,16H)-dione
Database identifiers
- CAS
38668-43-8- PubChem CID
- 181588
- DTXSID
DTXSID20959506
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 953
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Related reactions
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Compound notes
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