CID 101284879
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Basic information
- CAS
94950-45-5- Standard SMILES
CC[C@H]1C[C@@H]2[C@H]3O[C@H]3[C@H]3[C@H](C[C@H]4/C=C\C(O)=C5C(=O)N[C@@H](CCCNC(=O)/C=C\C[C@H]34)C5=O)[C@H]2[C@H]1C- InChIKey
APTVLKXCJPLIGF-XGIAXQKLSA-N- Molecular formula
- C29H38N2O5
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.27807232
Names & identifiers
- Preferred name
- CID 101284879
- IUPAC
- (3Z,5S,7R,8R,9S,10S,12S,13R,15S,16R,17S,19Z,26S)-10-ethyl-2-hydroxy-9-methyl-14-oxa-22,27-diazahexacyclo[24.2.1.05,17.07,16.08,12.013,15]nonacosa-1,3,19-triene-21,28,29-trione
- English name
- (4R,5S)-1β-Methyl-25-methyl-4,5-epoxy-4,5-dihydro-26,27-dinorikarugamycin
- Molecular formula
- C29H38N2O5
- Molecular weight
- 494.62242
Names & synonyms
SS-8201BAntibiotic SS-8201BPubChem ID: 101284879(4R,5S)-1β-Methyl-25-methyl-4,5-epoxy-4,5-dihydro-26,27-dinorikarugamycin
Database identifiers
- CAS
94950-45-5- PubChem CID
- 101284879
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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