Chemical Components in the PDB

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01L : Summary

Code

01L

One-letter code

X

Molecule name

[(1R)-1-amino-4-methoxybutyl]boronic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(1R)-1-amino-4-methoxybutyl]boronic acid
OpenEye OEToolkits 1.7.0 [(1R)-1-azanyl-4-methoxy-butyl]boronic acid

Formula

C5 H14 B N O3

Formal charge

0

Molecular weight

146.981 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OB(O)C(N)CCCOC
SMILES CACTVS 3.370 COCCC[CH](N)B(O)O
SMILES OpenEye OEToolkits 1.7.0 B(C(CCCOC)N)(O)O
Canonical SMILES CACTVS 3.370 COCCC[C@H](N)B(O)O
Canonical SMILES OpenEye OEToolkits 1.7.0 B([C@H](CCCOC)N)(O)O

IUPAC InChI

InChI=1S/C5H14BNO3/c1-10-4-2-3-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1

IUPAC InChI key

HSZIJAHUOVGOAM-YFKPBYRVSA-N

Is part of

T42
01L

wwPDB Information

Atom count

24 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-02-22

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned