Chemical Components in the PDB

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2ZC : Summary

Code

2ZC

One-letter code

S

Molecule name

O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine

Systematic names

ProgramVersionName
ACDLabs 12.01 O-{[4-(2-aminoethyl)phenyl]sulfonyl}-L-serine
OpenEye OEToolkits 1.7.6 (2S)-2-azanyl-3-[4-(2-azanylethyl)phenyl]sulfonyloxy-propanoic acid

Formula

C11 H16 N2 O5 S

Formal charge

0

Molecular weight

288.32 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)COS(=O)(=O)c1ccc(cc1)CCN
SMILES CACTVS 3.385 NCCc1ccc(cc1)[S](=O)(=O)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1CCN)S(=O)(=O)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 NCCc1ccc(cc1)[S](=O)(=O)OC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(ccc1CCN)S(=O)(=O)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H16N2O5S/c12-6-5-8-1-3-9(4-2-8)19(16,17)18-7-10(13)11(14)15/h1-4,10H,5-7,12-13H2,(H,14,15)/t10-/m0/s1

IUPAC InChI key

GYATUUIUJIKHFE-JTQLQIEISA-N
2ZC

wwPDB Information

Atom count

35 (19 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2014-05-01

Last modified at

2014-05-09

Status

Released

Obsoleted

Not Assigned