Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

D8D

Summary
Name:1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
Formula:C14 H24 N2 O3
Formal charge:0
Formula weight:268.352 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline
OpenEye OEToolkits2.0.6(2~{S})-1-[(1~{R})-1-cyclohexyl-2-(methylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1C(CCCC1)C(N2C(CCC2)C(O)=O)C(=O)NC
InChIInChI1.03InChI=1S/C14H24N2O3/c1-15-13(17)12(10-6-3-2-4-7-10)16-9-5-8-11(16)14(18)19/h10-12H,2-9H2,1H3,(H,15,17)(H,18,19)/t11-,12+/m0/s1
InChIKeyInChI1.03OCMCWMIWKWLBKH-NWDGAFQWSA-N
SMILES_CANONICALCACTVS3.385CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(O)=O
SMILESCACTVS3.385CNC(=O)[CH](C1CCCCC1)N2CCC[CH]2C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CNC(=O)[C@@H](C1CCCCC1)N2CCC[C@H]2C(=O)O
SMILESOpenEye OEToolkits2.0.6CNC(=O)C(C1CCCCC1)N2CCCC2C(=O)O

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon