Chemical Components in the PDB

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HNU : Summary

Code

HNU

One-letter code

X

Molecule name

(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide

Formula

C10 H17 N3 O3

Formal charge

0

Molecular weight

227.26 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC(CCC(=O)N)C(=O)NCC=C
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=C
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N[C@@H](CCC(=O)N)C(=O)NCC=C

IUPAC InChI

InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1

IUPAC InChI key

HRGCJYNJCSFORH-QMMMGPOBSA-N
HNU

wwPDB Information

Atom count

33 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-07

Last modified at

2022-11-18

Status

Released

Obsoleted

Not Assigned