Chemical Components in the PDB

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Z0A : Summary

Code

Z0A

One-letter code

X

Molecule name

(3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S)-3-[(2R)-2-amino-5-oxohexyl]pyrrolidin-2-one
OpenEye OEToolkits 1.7.0 (3S)-3-[(2R)-2-azanyl-5-oxo-hexyl]pyrrolidin-2-one

Formula

C10 H18 N2 O2

Formal charge

0

Molecular weight

198.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NCCC1CC(N)CCC(=O)C
SMILES CACTVS 3.370 CC(=O)CC[CH](N)C[CH]1CCNC1=O
SMILES OpenEye OEToolkits 1.7.0 CC(=O)CCC(CC1CCNC1=O)N
Canonical SMILES CACTVS 3.370 CC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(=O)CC[C@H](C[C@@H]1CCNC1=O)N

IUPAC InChI

InChI=1S/C10H18N2O2/c1-7(13)2-3-9(11)6-8-4-5-12-10(8)14/h8-9H,2-6,11H2,1H3,(H,12,14)/t8-,9+/m0/s1

IUPAC InChI key

GWPIOALDPNACHZ-DTWKUNHWSA-N

Is part of

ZU3
Z0A

wwPDB Information

Atom count

32 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-17

Last modified at

2012-01-13

Status

Released

Obsoleted

Not Assigned