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(Q72506734)
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English
Ro 0281675
chemical compound
(2R)-3-Cyclopentyl-2-[4-(methanesulfonyl)phenyl]-N-(thiazol-2-yl)propionamide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
378.10718456399997
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₂N₂O₃S₂
0 references
canonical SMILES
CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
0 references
InChIKey
NEQSWPCDHDQINX-MRXNPFEDSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
300353-13-3
0 references
PubChem CID
9886086
1 reference
matched by identifier from
InChIKey
InChIKey
NEQSWPCDHDQINX-MRXNPFEDSA-N
ChEBI ID
95004
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H22N2O3S2/c1-25(22,23)15-8-6-14(7-9-15)16(12-13-4-2-3-5-13)17(21)20-18-19-10-11-24-18/h6-11,13,16H,2-5,12H2,1H3,(H,19,20,21)/t16-/m1/s1
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