Chemical Components in the PDB

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2HM : Summary

Code

2HM

One-letter code

X

Molecule name

(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid
OpenEye OEToolkits 1.7.0 (2R)-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanoic acid

Formula

C8 H15 N O4

Formal charge

0

Molecular weight

189.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NO)CC(C(=O)O)CC(C)C
SMILES CACTVS 3.370 CC(C)C[CH](CC(=O)NO)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)CC(CC(=O)NO)C(=O)O
Canonical SMILES CACTVS 3.370 CC(C)C[C@H](CC(=O)NO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)C[C@H](CC(=O)NO)C(=O)O

IUPAC InChI

InChI=1S/C8H15NO4/c1-5(2)3-6(8(11)12)4-7(10)9-13/h5-6,13H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1

IUPAC InChI key

MSTVIJUMKPFGJQ-ZCFIWIBFSA-N

Is part of

INN
2HM

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-02-01

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned