Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

FB6 : Summary

Code

FB6

One-letter code

A

Molecule name

6-(dihydroxyboranyl)-2-methyl-L-norleucine

Systematic names

ProgramVersionName
ACDLabs 12.01 6-(dihydroxyboranyl)-2-methyl-L-norleucine
OpenEye OEToolkits 1.7.2 2-azanyl-6-(dihydroxyboranyl)-2-methyl-hexanoic acid

Formula

C7 H16 B N O4

Formal charge

0

Molecular weight

189.017 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)(CCCCB(O)O)C
SMILES CACTVS 3.370 C[C](N)(CCCCB(O)O)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 B(CCCCC(C)(C(=O)O)N)(O)O
Canonical SMILES CACTVS 3.370 C[C@](N)(CCCCB(O)O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 B(CCCCC(C)(C(=O)O)N)(O)O

IUPAC InChI

InChI=1S/C7H16BNO4/c1-7(9,6(10)11)4-2-3-5-8(12)13/h12-13H,2-5,9H2,1H3,(H,10,11)/t7-/m0/s1

IUPAC InChI key

VJCNFQNUKLFMMR-ZETCQYMHSA-N
FB6

wwPDB Information

Atom count

29 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2011-06-27

Last modified at

2011-07-15

Status

Released

Obsoleted

Not Assigned