Chemical Components in the PDB

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RZR : Summary

Code

RZR

One-letter code

X

Molecule name

(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
OpenEye OEToolkits 2.0.7 (1~{R},2~{S})-1-[[4-(methylcarbamoylamino)phenyl]carbonylamino]-2,3-dihydro-1~{H}-indene-2-carboxylic acid

Formula

C19 H19 N3 O4

Formal charge

0

Molecular weight

353.372 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CNC(=O)Nc1ccc(cc1)C(=O)NC1c2ccccc2CC1C(=O)O
SMILES CACTVS 3.385 CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccccc23)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)Nc1ccc(cc1)C(=O)NC2c3ccccc3CC2C(=O)O
Canonical SMILES CACTVS 3.385 CNC(=O)Nc1ccc(cc1)C(=O)N[C@@H]2[C@H](Cc3ccccc23)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)Nc1ccc(cc1)C(=O)N[C@H]2c3ccccc3C[C@@H]2C(=O)O

IUPAC InChI

InChI=1S/C19H19N3O4/c1-20-19(26)21-13-8-6-11(7-9-13)17(23)22-16-14-5-3-2-4-12(14)10-15(16)18(24)25/h2-9,15-16H,10H2,1H3,(H,22,23)(H,24,25)(H2,20,21,26)/t15-,16-/m0/s1

IUPAC InChI key

BAKOSBATOMEZBB-HOTGVXAUSA-N
RZR

wwPDB Information

Atom count

45 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-23

Last modified at

2022-07-08

Status

Released

Obsoleted

Not Assigned