Chemical Components in the PDB

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RF9 : Summary

Code

RF9

One-letter code

X

Molecule name

N~6~-[(1R)-1-carboxyethyl]-L-lysine

Systematic names

ProgramVersionName
ACDLabs 12.01 N~6~-[(1R)-1-carboxyethyl]-L-lysine
OpenEye OEToolkits 2.0.7 (2~{S})-2-azanyl-6-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]hexanoic acid

Formula

C9 H18 N2 O4

Formal charge

0

Molecular weight

218.25 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(CCCCNC(C)C(O)=O)C(O)=O
SMILES CACTVS 3.385 C[CH](NCCCC[CH](N)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)O)NCCCCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 C[C@@H](NCCCC[C@H](N)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1

IUPAC InChI key

XCYPSOHOIAZISD-RQJHMYQMSA-N
RF9

wwPDB Information

Atom count

33 (15 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2019-02-05

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned