Chemical Components in the PDB

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UOY : Summary

Code

UOY

One-letter code

X

Molecule name

4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine

Systematic names

ProgramVersionName
ACDLabs 12.01 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
OpenEye OEToolkits 2.0.7 (2~{S})-4,4-dimethyl-2-[(6-phenoxypyridin-3-yl)carbonylamino]pentanoic acid

Formula

C19 H22 N2 O4

Formal charge

0

Molecular weight

342.389 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C
SMILES CACTVS 3.385 CC(C)(C)C[CH](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2
Canonical SMILES CACTVS 3.385 CC(C)(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2

IUPAC InChI

InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1

IUPAC InChI key

DASSWHWKVPKLEB-HNNXBMFYSA-N
UOY

wwPDB Information

Atom count

47 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-26

Last modified at

2020-08-07

Status

Released

Obsoleted

Not Assigned