Chemical Components in the PDB

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AYV : Summary

Code

AYV

One-letter code

X

Molecule name

1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

Formula

C11 H16 N2 O3

Formal charge

0

Molecular weight

224.256 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(CO)(CO)NC(=O)Nc1ccccc1
SMILES OpenEye OEToolkits 2.0.6 CC(CO)(CO)NC(=O)Nc1ccccc1
Canonical SMILES CACTVS 3.385 CC(CO)(CO)NC(=O)Nc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(CO)(CO)NC(=O)Nc1ccccc1

IUPAC InChI

InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)

IUPAC InChI key

NLGYHTMGWVQQIL-UHFFFAOYSA-N
AYV

wwPDB Information

Atom count

32 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned