Chemical Components in the PDB

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SEB : Summary

Code

SEB

One-letter code

S

Molecule name

O-BENZYLSULFONYL-SERINE

Systematic names

ProgramVersionName
ACDLabs 10.04 O-(benzylsulfonyl)-L-serine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(phenylmethylsulfonyloxy)propanoic acid

Formula

C10 H13 N O5 S

Formal charge

0

Molecular weight

259.279 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)COS(=O)(=O)Cc1ccccc1
SMILES CACTVS 3.341 N[CH](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

IUPAC InChI key

GCZVEKLTOLTWLM-VIFPVBQESA-N
SEB

wwPDB Information

Atom count

30 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

1999-08-12

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned