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OJ0 : Summary

Code

OJ0

One-letter code

X

Molecule name

Levobupivacaine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

Formula

C18 H28 N2 O

Formal charge

0

Molecular weight

288.428 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
SMILES OpenEye OEToolkits 2.0.7 CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C
Canonical SMILES CACTVS 3.385 CCCCN1CCCC[C@H]1C(=O)Nc2c(C)cccc2C
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C

IUPAC InChI

InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1

IUPAC InChI key

LEBVLXFERQHONN-INIZCTEOSA-N
OJ0

wwPDB Information

Atom count

49 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-04

Last modified at

2023-11-01

Status

Released

Obsoleted

Not Assigned