Chemical Components in the PDB

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N96 : Summary

Code

N96

One-letter code

X

Molecule name

~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide

Formula

C9 H12 N2 O2 S

Formal charge

0

Molecular weight

212.269 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC(=O)Nc1sc2COCCc2n1
SMILES OpenEye OEToolkits 2.0.7 CCC(=O)Nc1nc2c(s1)COCC2
Canonical SMILES CACTVS 3.385 CCC(=O)Nc1sc2COCCc2n1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCC(=O)Nc1nc2c(s1)COCC2

IUPAC InChI

InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12)

IUPAC InChI key

BNOABFVSOWBPLZ-UHFFFAOYSA-N
N96

wwPDB Information

Atom count

26 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-12

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned