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9L2 : Summary

Code

9L2

One-letter code

X

Molecule name

(2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{R},3~{S},4~{R},5~{R},6~{R})-5-azanyl-2-(hydroxymethyl)-6-(4-phenyl-1~{H}-imidazol-2-yl)oxane-3,4-diol

Formula

C15 H19 N3 O4

Formal charge

0

Molecular weight

305.329 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1c2[nH]cc(n2)c3ccccc3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c[nH]c(n2)C3C(C(C(C(O3)CO)O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c2[nH]cc(n2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2c[nH]c(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N

IUPAC InChI

InChI=1S/C15H19N3O4/c16-11-13(21)12(20)10(7-19)22-14(11)15-17-6-9(18-15)8-4-2-1-3-5-8/h1-6,10-14,19-21H,7,16H2,(H,17,18)/t10-,11-,12-,13-,14-/m1/s1

IUPAC InChI key

XNWVPLWFFIGCKG-DHGKCCLASA-N
9L2

wwPDB Information

Atom count

41 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-05-31

Last modified at

2017-09-22

Status

Released

Obsoleted

Not Assigned