Chemical Components in the PDB

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CAS : Summary

Code

CAS

One-letter code

C

Molecule name

S-(DIMETHYLARSENIC)CYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 S-(dimethylarsanyl)-L-cysteine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-dimethylarsanylsulfanyl-propanoic acid

Formula

C5 H12 As N O2 S

Formal charge

0

Molecular weight

225.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CS[As](C)C
SMILES CACTVS 3.341 C[As](C)SC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C[As](C)SCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 C[As](C)SC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[As](C)SC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H12AsNO2S/c1-6(2)10-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1

IUPAC InChI key

UKLXSOVDMSQHMM-BYPYZUCNSA-N
CAS

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned