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CT2

Summary
Name:1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE
Formula:C19 H27 N O3
Formal charge:0
Formula weight:317.423 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-benzylcyclopentyl [(1S)-1-formylpentyl]carbamate
OpenEye OEToolkits1.5.0[1-(phenylmethyl)cyclopentyl] N-[(2S)-1-oxohexan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC2(Cc1ccccc1)CCCC2)NC(C=O)CCCC
SMILES_CANONICALCACTVS3.341CCCC[C@H](NC(=O)OC1(CCCC1)Cc2ccccc2)C=O
SMILESCACTVS3.341CCCC[CH](NC(=O)OC1(CCCC1)Cc2ccccc2)C=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2
SMILESOpenEye OEToolkits1.5.0CCCCC(C=O)NC(=O)OC1(CCCC1)Cc2ccccc2
InChIInChI1.03InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyInChI1.03ONABDOMWRCXLPX-KRWDZBQOSA-N

218853

PDB entries from 2024-04-24

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