Chemical Components in the PDB

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DNS : Summary

Code

DNS

One-letter code

K

Molecule name

N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-L-LYSINE

Synonyms

DANSYLLYSINE
DNS-LYSINE
N(EPSILON)-DANSYL-L-LYSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~6~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-lysine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-6-[(5-dimethylaminonaphthalen-1-yl)sulfonylamino]hexanoic acid

Formula

C18 H25 N3 O4 S

Formal charge

0

Molecular weight

379.474 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C
SMILES CACTVS 3.341 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-12-4-3-9-15(19)18(22)23/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23)/t15-/m0/s1

IUPAC InChI key

VQPRNSWQIAHPMS-HNNXBMFYSA-N
DNS

wwPDB Information

Atom count

51 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

LYS

Defined at

2005-02-22

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned