Chemical Components in the PDB

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M6W : Summary

Code

M6W

One-letter code

X

Molecule name

(3~{S})-~{N}-methylpyrrolidine-3-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (3~{S})-~{N}-methylpyrrolidine-3-carboxamide

Formula

C6 H12 N2 O

Formal charge

0

Molecular weight

128.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CNC(=O)[CH]1CCNC1
SMILES OpenEye OEToolkits 2.0.7 CNC(=O)C1CCNC1
Canonical SMILES CACTVS 3.385 CNC(=O)[C@H]1CCNC1
Canonical SMILES OpenEye OEToolkits 2.0.7 CNC(=O)[C@H]1CCNC1

IUPAC InChI

InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1

IUPAC InChI key

BVOWXWSHDIGNRE-YFKPBYRVSA-N
M6W

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-03

Last modified at

2020-02-28

Status

Released

Obsoleted

Not Assigned