Chemical Components in the PDB

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MP8 : Summary

Code

MP8

One-letter code

P

Molecule name

(4R)-4-methyl-L-proline

Systematic names

ProgramVersionName
ACDLabs 12.01 (4R)-4-methyl-L-proline
OpenEye OEToolkits 1.7.0 (2S,4R)-4-methylpyrrolidine-2-carboxylic acid

Formula

C6 H11 N O2

Formal charge

0

Molecular weight

129.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1NCC(C)C1
SMILES CACTVS 3.370 C[CH]1CN[CH](C1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC1CC(NC1)C(=O)O
Canonical SMILES CACTVS 3.370 C[C@H]1CN[C@@H](C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@@H]1C[C@H](NC1)C(=O)O

IUPAC InChI

InChI=1S/C6H11NO2/c1-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1

IUPAC InChI key

KKJQZEWNZXRJFG-UHNVWZDZSA-N
MP8

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

PRO

Defined at

2009-08-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned