Basic information
- Standard SMILES
CCC(CC)ON(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(O)cc1- InChIKey
ALQRYWHLUHHGQY-UIPNDDLNSA-N- Molecular formula
- C28H38N2O9S
- Average molar mass
- 578.7 g/mol
- Monoisotopic mass
- 578.22980197
Names & identifiers
- Preferred name
- (3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate
- IUPAC
- [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxyamino]-1-phenylbutan-2-yl]carbamate
Names & synonyms
SCHEMBL14066036ALQRYWHLUHHGQY-UIPNDDLNSA-N(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-1-benzyl-3-{(1-ethylpropoxy)[(4-hydroxyphenyl)sulfonyl]amino}-2-hydroxypropylcarbamate
Database identifiers
- PubChem CID
- 59090686
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 883
Related reactions
2 records
Compound notes
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