Chemical Components in the PDB

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0UD : Summary

Code

0UD

One-letter code

X

Molecule name

N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[2,6-di(propan-2-yl)phenyl]-N'-(N-ethylcarbamimidoyl)urea
OpenEye OEToolkits 2.0.7 1-[2,6-di(propan-2-yl)phenyl]-3-(~{N}-ethylcarbamimidoyl)urea

Formula

C16 H26 N4 O

Formal charge

0

Molecular weight

290.404 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1c(cccc1C(C)C)C(C)C)NC(=N)NCC
SMILES CACTVS 3.385 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
SMILES OpenEye OEToolkits 2.0.7 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
Canonical SMILES CACTVS 3.385 CCNC(=N)NC(=O)Nc1c(cccc1C(C)C)C(C)C
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(\NCC)/NC(=O)Nc1c(cccc1C(C)C)C(C)C

IUPAC InChI

InChI=1S/C16H26N4O/c1-6-18-15(17)20-16(21)19-14-12(10(2)3)8-7-9-13(14)11(4)5/h7-11H,6H2,1-5H3,(H4,17,18,19,20,21)

IUPAC InChI key

ABOWUZLWUNTBAJ-UHFFFAOYSA-N
0UD

wwPDB Information

Atom count

47 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-06-15

Last modified at

2022-01-28

Status

Released

Obsoleted

Not Assigned