(Q72506734)

English

Ro 0281675

chemical compound

(2R)-3-Cyclopentyl-2-[4-(methanesulfonyl)phenyl]-N-(thiazol-2-yl)propionamide

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Statements

type of chemical entity

0 references

chemical compound

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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

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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=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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NEQSWPCDHDQINX-MRXNPFEDSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

NEQSWPCDHDQINX-MRXNPFEDSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

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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