Chemical Components in the PDB

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UO2 : Summary

Code

UO2

One-letter code

X

Molecule name

(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide

Formula

C18 H21 N5 O3 S

Formal charge

0

Molecular weight

387.456 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N
Canonical SMILES CACTVS 3.385 C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H](C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N

IUPAC InChI

InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1

IUPAC InChI key

HKVYLIVZRUYPKC-NSHDSACASA-N
UO2

wwPDB Information

Atom count

48 (27 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-03-02

Last modified at

2021-04-02

Status

Released

Obsoleted

Not Assigned