Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

NC6 : Summary

Code

NC6

One-letter code

X

Molecule name

6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID

Synonyms

4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 6-[(cyclohexylcarbamoyl)amino]hexanoic acid
OpenEye OEToolkits 1.5.0 6-(cyclohexylcarbamoylamino)hexanoic acid

Formula

C13 H24 N2 O3

Formal charge

0

Molecular weight

256.341 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC1CCCCC1)NCCCCCC(=O)O
SMILES CACTVS 3.341 OC(=O)CCCCCNC(=O)NC1CCCCC1
SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)NC(=O)NCCCCCC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)CCCCCNC(=O)NC1CCCCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(CC1)NC(=O)NCCCCCC(=O)O

IUPAC InChI

InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18)

IUPAC InChI key

KFTVEPYSUSWBRD-UHFFFAOYSA-N
NC6

wwPDB Information

Atom count

42 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-21

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned