Chemical Components in the PDB

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FHT : Summary

Code

FHT

One-letter code

X

Molecule name

[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium

Formula

C10 H11 Br N7 O2

Formal charge

1

Molecular weight

341.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [NH3+]NC(=O)[CH](NC(=O)c1ccc(Br)cc1)c2n[nH]nn2
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1C(=O)NC(c2n[nH]nn2)C(=O)N[NH3+])Br
Canonical SMILES CACTVS 3.385 [NH3+]NC(=O)[C@H](NC(=O)c1ccc(Br)cc1)c2n[nH]nn2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[NH3+])Br

IUPAC InChI

InChI=1S/C10H10BrN7O2/c11-6-3-1-5(2-4-6)9(19)13-7(10(20)14-12)8-15-17-18-16-8/h1-4,7H,12H2,(H,13,19)(H,14,20)(H,15,16,17,18)/p+1/t7-/m1/s1

IUPAC InChI key

UZGSPOKOIKICEW-SSDOTTSWSA-O
FHT

wwPDB Information

Atom count

31 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-07-10

Last modified at

2020-01-24

Status

Released

Obsoleted

Not Assigned