Chemical Components in the PDB

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BL2 : Summary

Code

BL2

One-letter code

L

Molecule name

N-(tert-butoxycarbonyl)-L-leucine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(tert-butoxycarbonyl)-L-leucine
OpenEye OEToolkits 1.7.6 (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Formula

C11 H21 N O4

Formal charge

0

Molecular weight

231.289 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C
SMILES CACTVS 3.370 CC(C)C[CH](NC(=O)OC(C)(C)C)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C
Canonical SMILES CACTVS 3.370 CC(C)C[C@H](NC(=O)OC(C)(C)C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C

IUPAC InChI

InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1

IUPAC InChI key

MDXGYYOJGPFFJL-QMMMGPOBSA-N

Has sub-components

BOC , LEU
BL2

wwPDB Information

Atom count

37 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LEU

Defined at

2012-05-31

Last modified at

2013-05-17

Status

Released

Obsoleted

Not Assigned