Chemical Components in the PDB

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EXY : Summary

Code

EXY

One-letter code

L

Molecule name

6-[(2R)-oxiran-2-yl]-L-norleucine

Synonyms

(2S)-2-amino-7,8-epoxy octanoic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 6-[(2R)-oxiran-2-yl]-L-norleucine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[(2R)-oxiran-2-yl]hexanoic acid

Formula

C8 H15 N O3

Formal charge

0

Molecular weight

173.21 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCCC1OC1
SMILES CACTVS 3.341 N[CH](CCCC[CH]1CO1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1C(O1)CCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCCC[C@@H]1CO1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](O1)CCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H15NO3/c9-7(8(10)11)4-2-1-3-6-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1

IUPAC InChI key

VESDHWISIJZIDY-RQJHMYQMSA-N
EXY

wwPDB Information

Atom count

27 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2008-06-25

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned