Chemical Components in the PDB

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C0D : Summary

Code

C0D

One-letter code

X

Molecule name

(2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
OpenEye OEToolkits 2.0.6 (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-(pentylamino)propyl]butanamide

Formula

C14 H28 N2 O3

Formal charge

0

Molecular weight

272.384 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC(C(O)C(=O)NCCC(=O)NCCCCC)(C)C
SMILES CACTVS 3.385 CCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C
SMILES OpenEye OEToolkits 2.0.6 CCCCCNC(=O)CCNC(=O)C(C(C)(C)C)O
Canonical SMILES CACTVS 3.385 CCCCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)C
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)C)O

IUPAC InChI

InChI=1S/C14H28N2O3/c1-5-6-7-9-15-11(17)8-10-16-13(19)12(18)14(2,3)4/h12,18H,5-10H2,1-4H3,(H,15,17)(H,16,19)/t12-/m0/s1

IUPAC InChI key

ZNKPIBQTIYRSDI-LBPRGKRZSA-N
C0D

wwPDB Information

Atom count

47 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-09-06

Last modified at

2018-09-07

Status

Released

Obsoleted

Not Assigned