Chemical Components in the PDB

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OFZ : Summary

Code

OFZ

One-letter code

X

Molecule name

1-(2-adamantylmethyl)-3-ethyl-guanidine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1-(2-adamantylmethyl)-3-ethyl-guanidine

Formula

C14 H25 N3

Formal charge

0

Molecular weight

235.368 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
SMILES OpenEye OEToolkits 2.0.7 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
Canonical SMILES CACTVS 3.385 CCNC(=N)NCC1C2CC3CC(C2)CC1C3
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\NCC)/NCC1C2CC3CC(C2)CC1C3

IUPAC InChI

InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-

IUPAC InChI key

GKPMCHKJTWWYLH-FOPUMGAHSA-N
OFZ

wwPDB Information

Atom count

42 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-03

Last modified at

2020-03-06

Status

Released

Obsoleted

Not Assigned