Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

UIL : Summary

Code

UIL

One-letter code

X

Molecule name

[(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid

Formula

C7 H16 N2 O2

Formal charge

0

Molecular weight

160.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(C)C[CH](CN)NC(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)CC(CN)NC(=O)O
Canonical SMILES CACTVS 3.385 CC(C)C[C@H](CN)NC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)C[C@H](CN)NC(=O)O

IUPAC InChI

InChI=1S/C7H16N2O2/c1-5(2)3-6(4-8)9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m1/s1

IUPAC InChI key

RJJBFDBMVBMWRB-ZCFIWIBFSA-N
UIL

wwPDB Information

Atom count

27 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-10-14

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned