Chemical Components in the PDB

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6CW : Summary

Code

6CW

One-letter code

W

Molecule name

6-CHLORO-L-TRYPTOPHAN

Systematic names

ProgramVersionName
ACDLabs 10.04 6-chloro-L-tryptophan
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(6-chloro-1H-indol-3-yl)propanoic acid

Formula

C11 H11 Cl N2 O2

Formal charge

0

Molecular weight

238.67 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)Cc2c1ccc(Cl)cc1nc2
SMILES CACTVS 3.341 N[CH](Cc1c[nH]c2cc(Cl)ccc12)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1Cl)[nH]cc2CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H11ClN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1

IUPAC InChI key

FICLVQOYKYBXFN-VIFPVBQESA-N
6CW

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

TRP

Defined at

2005-09-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned