Chemical Components in the PDB

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L7V : Summary

Code

L7V

One-letter code

X

Molecule name

1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
OpenEye OEToolkits 2.0.7 1-[(2~{S})-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-pyridin-3-yl-ethanone

Formula

C16 H18 N4 O2

Formal charge

0

Molecular weight

298.34 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1
SMILES CACTVS 3.385 O=C(Cc1cccnc1)N2CCC[CH]2c3noc(n3)C4CC4
SMILES OpenEye OEToolkits 2.0.7 c1cc(cnc1)CC(=O)N2CCCC2c3nc(on3)C4CC4
Canonical SMILES CACTVS 3.385 O=C(Cc1cccnc1)N2CCC[C@H]2c3noc(n3)C4CC4
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(cnc1)CC(=O)N2CCC[C@H]2c3nc(on3)C4CC4

IUPAC InChI

InChI=1S/C16H18N4O2/c21-14(9-11-3-1-7-17-10-11)20-8-2-4-13(20)15-18-16(22-19-15)12-5-6-12/h1,3,7,10,12-13H,2,4-6,8-9H2/t13-/m0/s1

IUPAC InChI key

SHUFUJKRBBPZHJ-ZDUSSCGKSA-N
L7V

wwPDB Information

Atom count

40 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-08-15

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned