Chemical Components in the PDB

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T2M : Summary

Code

T2M

One-letter code

X

Molecule name

TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE

Systematic names

ProgramVersionName
ACDLabs 10.04 tert-butyl 2-cyano-2-methylhydrazinecarboxylate
OpenEye OEToolkits 1.5.0 tert-butyl N-(cyano-methyl-amino)carbamate

Formula

C7 H13 N3 O2

Formal charge

0

Molecular weight

171.197 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OC(C)(C)C)NN(C#N)C
SMILES CACTVS 3.341 CN(NC(=O)OC(C)(C)C)C#N
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)OC(=O)NN(C)C#N
Canonical SMILES CACTVS 3.341 CN(NC(=O)OC(C)(C)C)C#N
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)OC(=O)NN(C)C#N

IUPAC InChI

InChI=1S/C7H13N3O2/c1-7(2,3)12-6(11)9-10(4)5-8/h1-4H3,(H,9,11)

IUPAC InChI key

SWELYBAPJHIOQT-UHFFFAOYSA-N
T2M

wwPDB Information

Atom count

25 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-02-07

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned