Chemical Components in the PDB

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SZ8 : Summary

Code

SZ8

One-letter code

X

Molecule name

methyl (4R)-4-amino-1-methyl-L-prolinate

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl (4R)-4-amino-1-methyl-L-prolinate
OpenEye OEToolkits 1.7.2 methyl (2S,4R)-4-azanyl-1-methyl-pyrrolidine-2-carboxylate

Formula

C7 H14 N2 O2

Formal charge

0

Molecular weight

158.198 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(OC)C1N(C)CC(N)C1
SMILES CACTVS 3.370 COC(=O)[CH]1C[CH](N)CN1C
SMILES OpenEye OEToolkits 1.7.2 CN1CC(CC1C(=O)OC)N
Canonical SMILES CACTVS 3.370 COC(=O)[C@@H]1C[C@@H](N)CN1C
Canonical SMILES OpenEye OEToolkits 1.7.2 CN1C[C@@H](C[C@H]1C(=O)OC)N

IUPAC InChI

InChI=1S/C7H14N2O2/c1-9-4-5(8)3-6(9)7(10)11-2/h5-6H,3-4,8H2,1-2H3/t5-,6+/m1/s1

IUPAC InChI key

WWDRZXVUQYMTLY-RITPCOANSA-N
SZ8

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-07

Last modified at

2011-08-19

Status

Released

Obsoleted

Not Assigned