Chemical Components in the PDB

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8YT : Summary

Code

8YT

One-letter code

X

Molecule name

1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide

Formula

C17 H24 N2 O3

Formal charge

0

Molecular weight

304.384 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1C[CH]1c2oc(CCC(=O)N3CCC(CC3)C(N)=O)cc2
SMILES OpenEye OEToolkits 2.0.6 CC1CC1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N
Canonical SMILES CACTVS 3.385 C[C@@H]1C[C@H]1c2oc(CCC(=O)N3CCC(CC3)C(N)=O)cc2
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N

IUPAC InChI

InChI=1S/C17H24N2O3/c1-11-10-14(11)15-4-2-13(22-15)3-5-16(20)19-8-6-12(7-9-19)17(18)21/h2,4,11-12,14H,3,5-10H2,1H3,(H2,18,21)/t11-,14-/m1/s1

IUPAC InChI key

KDDWUCROKBAIBA-BXUZGUMPSA-N
8YT

wwPDB Information

Atom count

46 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-27

Last modified at

2017-11-10

Status

Released

Obsoleted

Not Assigned