Chemical Components in the PDB

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N10 : Summary

Code

N10

One-letter code

S

Molecule name

O-[(HEXYLAMINO)CARBONYL]-L-SERINE

Systematic names

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

Formula

C10 H20 N2 O4

Formal charge

0

Molecular weight

232.277 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)COC(=O)NCCCCCC
SMILES CACTVS 3.341 CCCCCCNC(=O)OC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCCCCCNC(=O)OCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 CCCCCCNC(=O)OC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCCCCNC(=O)OC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C10H20N2O4/c1-2-3-4-5-6-12-10(15)16-7-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1

IUPAC InChI key

XOZLSURLRCSCTN-QMMMGPOBSA-N
N10

wwPDB Information

Atom count

36 (16 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2007-05-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned