Chemical Components in the PDB

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UZP : Summary

Code

UZP

One-letter code

X

Molecule name

(3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide
OpenEye OEToolkits 2.0.7 (3~{R})-3-(2,4-dichlorophenyl)-~{N}-oxidanyl-~{N}'-pentyl-pentanediamide

Formula

C16 H22 Cl2 N2 O3

Formal charge

0

Molecular weight

361.263 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1c(cc(c(C(CC(=O)NCCCCC)CC(=O)NO)c1)Cl)Cl
SMILES CACTVS 3.385 CCCCCNC(=O)C[CH](CC(=O)NO)c1ccc(Cl)cc1Cl
SMILES OpenEye OEToolkits 2.0.7 CCCCCNC(=O)CC(CC(=O)NO)c1ccc(cc1Cl)Cl
Canonical SMILES CACTVS 3.385 CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(Cl)cc1Cl
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl

IUPAC InChI

InChI=1S/C16H22Cl2N2O3/c1-2-3-4-7-19-15(21)8-11(9-16(22)20-23)13-6-5-12(17)10-14(13)18/h5-6,10-11,23H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)/t11-/m1/s1

IUPAC InChI key

FHIDAHOTTVOIDA-LLVKDONJSA-N
UZP

wwPDB Information

Atom count

45 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-09

Last modified at

2020-09-18

Status

Released

Obsoleted

Not Assigned