Chemical Components in the PDB

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M7Y : Summary

Code

M7Y

One-letter code

X

Molecule name

(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
OpenEye OEToolkits 2.0.7 (~{E})-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxidanylidene-imidazolidin-1-yl)phenyl]-~{N}-oxidanyl-prop-2-enamide

Formula

C19 H25 N3 O3

Formal charge

0

Molecular weight

343.42 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1(c([C@H]=CC(=O)NO)cccc1)N3C(CN(C2CCCC2)C3=O)(C)C
SMILES CACTVS 3.385 CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3C=CC(=O)NO
SMILES OpenEye OEToolkits 2.0.7 CC1(CN(C(=O)N1c2ccccc2C=CC(=O)NO)C3CCCC3)C
Canonical SMILES CACTVS 3.385 CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3/C=C/C(=O)NO
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C

IUPAC InChI

InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+

IUPAC InChI key

ILHJFGLWWDTUKY-VAWYXSNFSA-N
M7Y

wwPDB Information

Atom count

50 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-27

Last modified at

2020-03-27

Status

Released

Obsoleted

Not Assigned