Chemical Components in the PDB

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11Q : Summary

Code

11Q

One-letter code

P

Molecule name

1-(cyclohexylmethyl)-L-proline

Systematic names

ProgramVersionName
ACDLabs 12.01 1-(cyclohexylmethyl)-L-proline
OpenEye OEToolkits 1.7.6 (2S)-1-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid

Formula

C12 H21 N O2

Formal charge

0

Molecular weight

211.301 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C2N(CC1CCCCC1)CCC2
SMILES CACTVS 3.370 OC(=O)[CH]1CCCN1CC2CCCCC2
SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CN2CCCC2C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H]1CCCN1CC2CCCCC2
Canonical SMILES OpenEye OEToolkits 1.7.6 C1CCC(CC1)CN2CCC[C@H]2C(=O)O

IUPAC InChI

InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1

IUPAC InChI key

XRYRJXQJSTWFDB-NSHDSACASA-N
11Q

wwPDB Information

Atom count

36 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMS

Is modified

Yes

Standard parent

PRO

Defined at

2012-09-29

Last modified at

2013-03-29

Status

Released

Obsoleted

Not Assigned