Chemical Components in the PDB

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M44 : Summary

Code

M44

One-letter code

X

Molecule name

N,N'-bis(1-methylethyl)phosphorodiamidic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 bis(propan-2-ylamino)phosphinic acid

Formula

C6 H17 N2 O2 P

Formal charge

0

Molecular weight

180.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 CC(C)N[P](O)(=O)NC(C)C
SMILES OpenEye OEToolkits 1.7.0 CC(C)NP(=O)(NC(C)C)O
Canonical SMILES CACTVS 3.352 CC(C)N[P](O)(=O)NC(C)C
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)NP(=O)(NC(C)C)O

IUPAC InChI

InChI=1S/C6H17N2O2P/c1-5(2)7-11(9,10)8-6(3)4/h5-6H,1-4H3,(H3,7,8,9,10)

IUPAC InChI key

CAMCMEOOLQEXTO-UHFFFAOYSA-N
M44

wwPDB Information

Atom count

28 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-01-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned