Chemical Components in the PDB

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0UO : Summary

Code

0UO

One-letter code

W

Molecule name

4-methoxy-L-tryptophan

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methoxy-L-tryptophan
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-(4-methoxy-1H-indol-3-yl)propanoic acid

Formula

C12 H14 N2 O3

Formal charge

0

Molecular weight

234.251 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)Cc2c1c(cccc1OC)nc2
SMILES CACTVS 3.370 COc1cccc2[nH]cc(C[CH](N)C(O)=O)c12
SMILES OpenEye OEToolkits 1.7.6 COc1cccc2c1c(c[nH]2)CC(C(=O)O)N
Canonical SMILES CACTVS 3.370 COc1cccc2[nH]cc(C[C@H](N)C(O)=O)c12
Canonical SMILES OpenEye OEToolkits 1.7.6 COc1cccc2c1c(c[nH]2)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)/t8-/m0/s1

IUPAC InChI key

VYXPKRIKQJEAOO-QMMMGPOBSA-N
0UO

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

TRP

Defined at

2012-06-20

Last modified at

2012-09-21

Status

Released

Obsoleted

Not Assigned