Chemical Components in the PDB

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FZ4 : Summary

Code

FZ4

One-letter code

X

Molecule name

2-aminoethyl diphenylborinate

Systematic names

ProgramVersionName
ACDLabs 12.01 2-aminoethyl diphenylborinate
OpenEye OEToolkits 2.0.6 2-diphenylboranyloxyethanamine

Formula

C14 H16 B N O

Formal charge

0

Molecular weight

225.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 B(c1ccccc1)(c2ccccc2)OCCN
SMILES CACTVS 3.385 NCCOB(c1ccccc1)c2ccccc2
SMILES OpenEye OEToolkits 2.0.6 B(c1ccccc1)(c2ccccc2)OCCN
Canonical SMILES CACTVS 3.385 NCCOB(c1ccccc1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.6 B(c1ccccc1)(c2ccccc2)OCCN

IUPAC InChI

InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2

IUPAC InChI key

BLZVCIGGICSWIG-UHFFFAOYSA-N
FZ4

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-04-26

Last modified at

2018-07-13

Status

Released

Obsoleted

Not Assigned