Chemical Components in the PDB

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L35 : Summary

Code

L35

One-letter code

X

Molecule name

2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid
OpenEye OEToolkits 1.5.0 2-[4-[(3,5-dichlorophenyl)carbamoylamino]phenoxy]-2-methyl-propanoic acid

Formula

C17 H16 Cl2 N2 O4

Formal charge

0

Molecular weight

383.226 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Clc2cc(NC(=O)Nc1ccc(OC(C(=O)O)(C)C)cc1)cc(Cl)c2
SMILES CACTVS 3.341 CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl
Canonical SMILES CACTVS 3.341 CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl

IUPAC InChI

InChI=1S/C17H16Cl2N2O4/c1-17(2,15(22)23)25-14-5-3-12(4-6-14)20-16(24)21-13-8-10(18)7-11(19)9-13/h3-9H,1-2H3,(H,22,23)(H2,20,21,24)

IUPAC InChI key

OYJPTSMWFKGZJM-UHFFFAOYSA-N
L35

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-11-16

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned