Chemical Components in the PDB

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ZS8 : Summary

Code

ZS8

One-letter code

X

Molecule name

(2S)-2-amino-2-methyldec-8-ynoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-2-methyldec-8-ynoic acid
OpenEye OEToolkits 2.0.4 (2~{S})-2-azanyl-2-methyl-dec-8-ynoic acid

Formula

C11 H19 N O2

Formal charge

0

Molecular weight

197.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(C(=O)O)(C)CCCCCC#CC
SMILES CACTVS 3.385 CC#CCCCCC[C](C)(N)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 CC#CCCCCCC(C)(C(=O)O)N
Canonical SMILES CACTVS 3.385 CC#CCCCCC[C@](C)(N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 CC#CCCCCC[C@@](C)(C(=O)O)N

IUPAC InChI

InChI=1S/C11H19NO2/c1-3-4-5-6-7-8-9-11(2,12)10(13)14/h5-9,12H2,1-2H3,(H,13,14)/t11-/m0/s1

IUPAC InChI key

IEDCXEQAWYUWSL-NSHDSACASA-N
ZS8

wwPDB Information

Atom count

33 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-04-06

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned