Chemical Components in the PDB

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M0G : Summary

Code

M0G

One-letter code

X

Molecule name

(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
OpenEye OEToolkits 2.0.7 (2~{S})-2-(3-chlorophenyl)-~{N}-(4-methylpyridin-3-yl)-2-oxidanyl-butanamide

Formula

C16 H17 Cl N2 O2

Formal charge

0

Molecular weight

304.771 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1
SMILES CACTVS 3.385 CC[C](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2
SMILES OpenEye OEToolkits 2.0.7 CCC(c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O
Canonical SMILES CACTVS 3.385 CC[C@@](O)(C(=O)Nc1cnccc1C)c2cccc(Cl)c2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC[C@](c1cccc(c1)Cl)(C(=O)Nc2cnccc2C)O

IUPAC InChI

InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1

IUPAC InChI key

NJXUEBRIEJJDBY-INIZCTEOSA-N
M0G

wwPDB Information

Atom count

38 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-15

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned