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A1B5O

Summary
Name:(1R,2S)-2-(methylsulfanyl)cyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate
Formula:C14 H24 N2 O3 S
Formal charge:0
Formula weight:300.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1R,2S)-2-(methylsulfanyl)cyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate
OpenEye OEToolkits3.1.0.0[(1~{R},2~{R})-2-methylsulfanylcyclohexyl] (3~{S})-3-aminocarbonylpiperidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)OC1CCCCC1SC
InChIInChI1.06InChI=1S/C14H24N2O3S/c1-20-12-7-3-2-6-11(12)19-14(18)16-8-4-5-10(9-16)13(15)17/h10-12H,2-9H2,1H3,(H2,15,17)/t10-,11+,12-/m0/s1
InChIKeyInChI1.06ZIWATAJUDIIRFB-TUAOUCFPSA-N
SMILES_CANONICALCACTVS3.385CS[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385CS[CH]1CCCC[CH]1OC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CSC1CCCCC1OC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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