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Basic information
- Standard SMILES
CC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)O[C@@H]1C)C(Cl)Cl- InChIKey
KCTXBLDAYCJREC-AQWYKPIYSA-N- Molecular formula
- C36H54Cl2N6O8
- Average molar mass
- 769.768 g/mol
- Monoisotopic mass
- 768.33801805
Names & identifiers
- Preferred name
- Itralamide A
- IUPAC
- N-[(3S,6R,9S,12R,15S,18S,19R)-6-Benzyl-3,7,9,10,12,16,19-heptamethyl-2,5,8,11,14,17-hexaoxo-15-(propan-2-yl)-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]-4,4-dichloro-N,3-dimethylbutanamide
Database identifiers
- PubChem CID
- 44479219
- DTXSID
DTXSID701335639- ChEMBL
CHEMBL1078517- ChEBI
CHEBI:217746
Related reactions
0 records
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Compound notes
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