Chemical Components in the PDB

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SC2 : Summary

Code

SC2

One-letter code

X

Molecule name

N-ACETYL-L-CYSTEINE

Synonyms

(2R)-2-acetamido-3-sulfanyl-propanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 N-acetyl-L-cysteine
OpenEye OEToolkits 1.7.0 (2R)-2-acetamido-3-sulfanyl-propanoic acid

Formula

C5 H9 N O3 S

Formal charge

0

Molecular weight

163.195 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NC(C(=O)O)CS)C
SMILES CACTVS 3.370 CC(=O)N[CH](CS)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(=O)NC(CS)C(=O)O
Canonical SMILES CACTVS 3.370 CC(=O)N[C@@H](CS)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=O)N[C@@H](CS)C(=O)O

IUPAC InChI

InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1

IUPAC InChI key

PWKSKIMOESPYIA-BYPYZUCNSA-N

Has sub-components

 ACE , CYS
SC2

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-08-11

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned