Chemical Components in the PDB

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TRZ : Summary

Code

TRZ

One-letter code

X

Molecule name

TRAZEOLIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-(1-methylethyl)-2,3-dihydro-1H-inden-5-yl]butanoic acid
OpenEye OEToolkits 1.5.0 4-oxo-4-[(2S,3S)-1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl]butanoic acid

Formula

C20 H28 O3

Formal charge

0

Molecular weight

316.435 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCC(=O)c1cc2c(cc1C)C(C(C2C(C)C)C)(C)C
SMILES CACTVS 3.341 CC(C)[CH]1[CH](C)C(C)(C)c2cc(C)c(cc12)C(=O)CCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C(=O)CCC(=O)O)C(C(C2(C)C)C)C(C)C
Canonical SMILES CACTVS 3.341 CC(C)[C@H]1[C@H](C)C(C)(C)c2cc(C)c(cc12)C(=O)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1cc2c(cc1C(=O)CCC(=O)O)[C@H]([C@@H](C2(C)C)C)C(C)C

IUPAC InChI

InChI=1S/C20H28O3/c1-11(2)19-13(4)20(5,6)16-9-12(3)14(10-15(16)19)17(21)7-8-18(22)23/h9-11,13,19H,7-8H2,1-6H3,(H,22,23)/t13-,19-/m0/s1

IUPAC InChI key

YUTXECPABXNXPU-DJJJIMSYSA-N
TRZ

wwPDB Information

Atom count

51 (23 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-10-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned