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Basic information
- CAS
131998-54-4- Standard SMILES
CC(C)[C@@H]1NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C(C)C)NC(=O)[C@H]2N=C1O[C@@H]2C- InChIKey
MIDTUAMKJJDHAR-YAWPOEEYSA-N- Molecular formula
- C27H42N6O6
- Average molar mass
- 546.669 g/mol
- Monoisotopic mass
- 546.31658306
Names & identifiers
- Preferred name
- Westiellamide
- IUPAC
- (1S,4S,7R,8S,11S,14R,15S,18S,21R)-7,14,21-Trimethyl-4,11,18-tri(propan-2-yl)-6,13,20-trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-2,5(24),9,12(23),16,19(22)-hexaene-2,9,16-triol
- English name
- westiellamide
- Molecular formula
- C27H42N6O6
- Molecular weight
- 546.66
Names & synonyms
cycloxazolinewestiellamide6,13,20-Trioxa-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione, 7,14,21-trimethyl-4,11,18-tris(1-methylethyl)-, (1S,4S,7R,8S,11S,14R,15S,18S,21R)-
Database identifiers
- CAS
131998-54-4- PubChem CID
- 159587
- DTXSID
DTXSID40927489- ChEMBL
CHEMBL486264- ChEBI
CHEBI:80068- Nikkaji
- J571.260B
Properties
Physicochemical properties
- Boiling point
- 782.3 · 782.3±60.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 11.72 · 11.72±0.70(Predicted)
Chemistry & industry
Suppliers1 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: Westiellamide is a cyclic peptide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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