Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C39H53N9O13S
- Molecular weight
- 888 g/mol
- IUPAC name
- 2-[13,34-di(butan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetic acid
- SMILES
- CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)CC)C5=C(N3)C=C(C=C5)O
- InChIKey
- HFENEIQMWRYNGK-UHFFFAOYSA-N
- XLogP
- -1.6
- Polar surface area
- 354 Ų
- H-bond donors
- 11
- H-bond acceptors
- 14
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 887.348354
Show 2 more facts
- chemical formula
- C₃₉H₅₃N₉O₁₃S
- canonical SMILES
- CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)CC)C5=C(N3)C=C(C=C5)O
Sources (1)
via Wikidata · CC0