Chemical Components in the PDB

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E1C : Summary

Code

E1C

One-letter code

X

Molecule name

2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid

Formula

C10 H16 N2 O4 S

Formal charge

0

Molecular weight

260.31 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O
SMILES OpenEye OEToolkits 2.0.7 CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O
Canonical SMILES CACTVS 3.385 CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CCc1c(c(c(n1C)CC)S(=O)(=O)N)C(=O)O

IUPAC InChI

InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16)

IUPAC InChI key

XSESKJZGUOEQOI-UHFFFAOYSA-N
E1C

wwPDB Information

Atom count

33 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-01

Last modified at

2020-02-14

Status

Released

Obsoleted

Not Assigned