Chemical Components in the PDB

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NC7 : Summary

Code

NC7

One-letter code

X

Molecule name

7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 7-[(cyclohexylcarbamoyl)amino]heptanoic acid
OpenEye OEToolkits 1.5.0 7-(cyclohexylcarbamoylamino)heptanoic acid

Formula

C14 H26 N2 O3

Formal charge

0

Molecular weight

270.368 Da

SMILES

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

IUPAC InChI

InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19)

IUPAC InChI key

GYTIWWDVOFXKPF-UHFFFAOYSA-N
NC7

wwPDB Information

Atom count

45 (19 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

2020-06-17

Status

Released

Obsoleted

Not Assigned