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U1D : Summary

Code

U1D

One-letter code

X

Molecule name

N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
OpenEye OEToolkits 2.0.7 ~{N}'-ethanoyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Formula

C11 H14 N2 O2 S

Formal charge

0

Molecular weight

238.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(NC(C)=O)C(c2cc1CCCCc1s2)=O
SMILES CACTVS 3.385 CC(=O)NNC(=O)c1sc2CCCCc2c1
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NNC(=O)c1cc2c(s1)CCCC2
Canonical SMILES CACTVS 3.385 CC(=O)NNC(=O)c1sc2CCCCc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)NNC(=O)c1cc2c(s1)CCCC2

IUPAC InChI

InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)

IUPAC InChI key

DNSKRZJUSJXMPF-UHFFFAOYSA-N
U1D

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned