(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-[{[4-(benzyloxy)phenyl]sulfonyl}(cyclohexyloxy)amino]-2-hydroxypropylcarbamate

HCID 59090807

Basic information

Standard SMILES
O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN(OC1CCCCC1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1)O[C@H]1CO[C@H]2OCC[C@H]21
InChIKey
MTGQFRNRAAWGAA-PYWJFMQWSA-N
Molecular formula
C36H44N2O9S
Average molar mass
680.8 g/mol

Names & identifiers

Preferred name
(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-[{[4-(benzyloxy)phenyl]sulfonyl}(cyclohexyloxy)amino]-2-hydroxypropylcarbamate
IUPAC
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[cyclohexyloxy-(4-phenylmethoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Names & synonyms

SCHEMBL14066018MTGQFRNRAAWGAA-PYWJFMQWSA-N(3R,3aS,6aR)hexahydrofuro[2,3-b]furan-3-yl (1S,2R)-1-benzyl-3-[{[4-(benzyloxy)phenyl]sulfonyl}(cyclohexyloxy)amino]-2-hydroxypropylcarbamate(3r,3as,6ar)hexahydrofuro[2,3-b]furan-3-yl(1s,2r)-1-benzyl-3-[{[4-(benzyloxy)phenyl]sulfonyl}(cyclohexyloxy)amino]-2-hydroxypropylcarbamate

Database identifiers

PubChem CID
59090807

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
141 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
15
Heavy atoms
48

Related reactions

4 records

Linked notes

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