Chemical Components in the PDB

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L7C : Summary

Code

L7C

One-letter code

X

Molecule name

(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
OpenEye OEToolkits 2.0.7 (3~{R})-1-[3-(2-fluorophenyl)propanoyl]-~{N}-pyridin-2-yl-pyrrolidine-3-carboxamide

Formula

C19 H20 F N3 O2

Formal charge

0

Molecular weight

341.379 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ccccn1)C1CCN(C1)C(=O)CCc1ccccc1F
SMILES CACTVS 3.385 Fc1ccccc1CCC(=O)N2CC[CH](C2)C(=O)Nc3ccccn3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CCC(=O)N2CCC(C2)C(=O)Nc3ccccn3)F
Canonical SMILES CACTVS 3.385 Fc1ccccc1CCC(=O)N2CC[C@H](C2)C(=O)Nc3ccccn3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)CCC(=O)N2CC[C@H](C2)C(=O)Nc3ccccn3)F

IUPAC InChI

InChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1

IUPAC InChI key

APMPJDBWBVVBBD-OAHLLOKOSA-N
L7C

wwPDB Information

Atom count

45 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-02-28

Last modified at

2022-04-22

Status

Released

Obsoleted

Not Assigned