Chemical Components in the PDB

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LCL : Summary

Code

LCL

One-letter code

X

Molecule name

2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

Synonyms

L-Chloramphenicol

Systematic names

ProgramVersionName
ACDLabs 12.01 2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
OpenEye OEToolkits 1.7.6 2,2-bis(chloranyl)-N-[(1S,2S)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide

Formula

C11 H12 Cl2 N2 O5

Formal charge

0

Molecular weight

323.129 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=[N+]([O-])c1ccc(cc1)C(O)C(NC(=O)C(Cl)Cl)CO
SMILES CACTVS 3.370 OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(cc1)[N+]([O-])=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Canonical SMILES CACTVS 3.370 OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+]([O-])=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]

IUPAC InChI

InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1

IUPAC InChI key

WIIZWVCIJKGZOK-IUCAKERBSA-N
LCL

wwPDB Information

Atom count

32 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-08-16

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned