Molecules/(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide
(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide
(2R)-3-phenyl-2-sulfanyl-N-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]propanamide
Molecular Identity
(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide
(2R)-3-phenyl-2-sulfanyl-N-[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]propanamide
PubChem CID: 168490114
2D Structure
Properties
C21H25NO6S2
Molecular Formula
451.60
Molecular Weight
g/mol
451.1123
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
146
TPSA
May have limited oral absorption
6
H-Bond Donors
8
H-Bond Acceptors
542
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)SC3C(C(C(C(O3)CO)O)O)O)SIsomeric SMILES
SMILES: C1=CC=C(C=C1)C[C@H](C(=O)NC2=CC=C(C=C2)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)SSynonyms(2)
(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamideIEV
Data from PubChem (NCBI)
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Molecular Structure
(2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide
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Drug Network
Trials and conditions connected to (2~{R})-~{N}-[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylphenyl]-3-phenyl-2-sulfanyl-propanamide
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