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M9H : Summary

Code

M9H

One-letter code

X

Molecule name

2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide

Formula

C14 H22 N4 O2

Formal charge

0

Molecular weight

278.35 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNCC(=O)NCc1cccc(CNC(=O)CNC)c1
SMILES OpenEye OEToolkits 2.0.7 CNCC(=O)NCc1cccc(c1)CNC(=O)CNC
Canonical SMILES CACTVS 3.385 CNCC(=O)NCc1cccc(CNC(=O)CNC)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CNCC(=O)NCc1cccc(c1)CNC(=O)CNC

IUPAC InChI

InChI=1S/C14H22N4O2/c1-15-9-13(19)17-7-11-4-3-5-12(6-11)8-18-14(20)10-16-2/h3-6,15-16H,7-10H2,1-2H3,(H,17,19)(H,18,20)

IUPAC InChI key

CUFJKZFCOYUISD-UHFFFAOYSA-N
M9H

wwPDB Information

Atom count

42 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned