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M0J : Summary

Code

M0J

One-letter code

X

Molecule name

N-[(2S)-2-hydroxypropyl]-N'-phenylurea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2S)-2-hydroxypropyl]-N'-phenylurea
OpenEye OEToolkits 2.0.6 1-[(2~{S})-2-oxidanylpropyl]-3-phenyl-urea

Formula

C10 H14 N2 O2

Formal charge

0

Molecular weight

194.23 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(C(=O)NCC(O)C)c1ccccc1
SMILES CACTVS 3.385 C[CH](O)CNC(=O)Nc1ccccc1
SMILES OpenEye OEToolkits 2.0.6 CC(CNC(=O)Nc1ccccc1)O
Canonical SMILES CACTVS 3.385 C[C@H](O)CNC(=O)Nc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H](CNC(=O)Nc1ccccc1)O

IUPAC InChI

InChI=1S/C10H14N2O2/c1-8(13)7-11-10(14)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H2,11,12,14)/t8-/m0/s1

IUPAC InChI key

XEAXHIGGZMUNSO-QMMMGPOBSA-N
M0J

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-15

Last modified at

2020-04-10

Status

Released

Obsoleted

Not Assigned