Chemical Components in the PDB

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SL9 : Summary

Code

SL9

One-letter code

X

Molecule name

(2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide

Formula

C10 H20 N4 O2 S

Formal charge

0

Molecular weight

260.356 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC(CCCCNC(=N)CS)C(=O)N
Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H](CCCCNC(=N)CS)C(N)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 [H]/N=C(/CS)\NCCCC[C@@H](C(=O)N)NC(=O)C

IUPAC InChI

InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1

IUPAC InChI key

VZQPDVWZAWZPHB-QMMMGPOBSA-N
SL9

wwPDB Information

Atom count

37 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-12-15

Last modified at

2023-09-22

Status

Released

Obsoleted

Not Assigned