Chemical Components in the PDB

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YJ5 : Summary

Code

YJ5

One-letter code

X

Molecule name

4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
OpenEye OEToolkits 2.0.7 4-[[butyl(pentanoyl)amino]methyl]-~{N}-oxidanyl-benzamide

Formula

C17 H26 N2 O3

Formal charge

0

Molecular weight

306.4 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
SMILES CACTVS 3.385 CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
SMILES OpenEye OEToolkits 2.0.7 CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
Canonical SMILES CACTVS 3.385 CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO

IUPAC InChI

InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)

IUPAC InChI key

RUZXVBRXLWFADZ-UHFFFAOYSA-N
YJ5

wwPDB Information

Atom count

48 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-06

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned