Chemical Components in the PDB

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CEV : Summary

Code

CEV

One-letter code

X

Molecule name

ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

Systematic names

ProgramVersionName
ACDLabs 12.01 ethyl (4R)-4-amino-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
OpenEye OEToolkits 1.7.2 ethyl (4R)-4-azanyl-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate

Formula

C11 H20 N2 O3

Formal charge

0

Molecular weight

228.288 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C1NCCC1CC(N)CCC(=O)OCC
SMILES CACTVS 3.370 CCOC(=O)CC[CH](N)C[CH]1CCNC1=O
SMILES OpenEye OEToolkits 1.7.2 CCOC(=O)CCC(CC1CCNC1=O)N
Canonical SMILES CACTVS 3.370 CCOC(=O)CC[C@@H](N)C[C@@H]1CCNC1=O
Canonical SMILES OpenEye OEToolkits 1.7.2 CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)N

IUPAC InChI

InChI=1S/C11H20N2O3/c1-2-16-10(14)4-3-9(12)7-8-5-6-13-11(8)15/h8-9H,2-7,12H2,1H3,(H,13,15)/t8-,9+/m0/s1

IUPAC InChI key

BLWBKGMLORNBPP-DTWKUNHWSA-N

Is part of

G85
CEV

wwPDB Information

Atom count

36 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-05

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned