Chemical Components in the PDB

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ARZ : Summary

Code

ARZ

One-letter code

X

Molecule name

(3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

Synonyms

5-(1-adamantylcarboxamido)-1,3,4-thiadiazole-2-sulfonamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
OpenEye OEToolkits 1.7.0 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

Formula

C13 H18 N4 O3 S2

Formal charge

0

Molecular weight

342.437 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(c1nnc(s1)NC(=O)C24CC3CC(C2)CC(C3)C4)N
SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)[C]23C[CH]4C[CH]([CH2]C([CH2]4)C2)C3)nn1
SMILES OpenEye OEToolkits 1.7.0 C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N
Canonical SMILES CACTVS 3.370 N[S](=O)(=O)c1sc(NC(=O)[C]23C[CH]4C[CH]([CH2]C([CH2]4)C2)C3)nn1
Canonical SMILES OpenEye OEToolkits 1.7.0 C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N

IUPAC InChI

InChI=1S/C13H18N4O3S2/c14-22(19,20)12-17-16-11(21-12)15-10(18)13-4-7-1-8(5-13)3-9(2-7)6-13/h7-9H,1-6H2,(H2,14,19,20)(H,15,16,18)/t7-,8+,9-,13-

IUPAC InChI key

NBKDQESIWDNDOT-LZFPZTGBSA-N
ARZ

wwPDB Information

Atom count

40 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-04-13

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned