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DAC : Summary

Code

DAC

One-letter code

X

Molecule name

2-DECENOYL N-ACETYL CYSTEAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 S-[2-(acetylamino)ethyl] (2Z)-dec-2-enethioate
OpenEye OEToolkits 1.5.0 S-(2-acetamidoethyl) (Z)-dec-2-enethioate

Formula

C14 H25 N O2 S

Formal charge

0

Molecular weight

271.419 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(SCCNC(=O)C)\C=C/CCCCCCC
SMILES CACTVS 3.341 CCCCCCCC=CC(=O)SCCNC(C)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCCC=CC(=O)SCCNC(=O)C
Canonical SMILES CACTVS 3.341 CCCCCCC\C=C/C(=O)SCCNC(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCC\C=C/C(=O)SCCNC(=O)C

IUPAC InChI

InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-

IUPAC InChI key

HYDKTIAWESXLEF-KTKRTIGZSA-N
DAC

wwPDB Information

Atom count

43 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned