Chemical Components in the PDB

pdbe.org/chem
spacer

CRP : Summary

Code

CRP

One-letter code

X

Molecule name

((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE

Synonyms

CARPROPAMID

Systematic names

ProgramVersionName
ACDLabs 10.04 (1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide
OpenEye OEToolkits 1.5.0 (1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methyl-cyclopropane-1-carboxamide

Formula

C15 H18 Cl3 N O

Formal charge

0

Molecular weight

334.669 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl
SMILES CACTVS 3.341 CC[C]1([CH](C)C1(Cl)Cl)C(=O)N[CH](C)c2ccc(Cl)cc2
SMILES OpenEye OEToolkits 1.5.0 CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)c2ccc(cc2)Cl
Canonical SMILES CACTVS 3.341 CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl

IUPAC InChI

InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1

IUPAC InChI key

RXDMAYSSBPYBFW-RULNRJAQSA-N
CRP

wwPDB Information

Atom count

38 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned