Chemical Components in the PDB

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7B0 : Summary

Code

7B0

One-letter code

X

Molecule name

(2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid

Formula

C6 H15 N3 O4 S

Formal charge

0

Molecular weight

225.266 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCCCC[CH](N[S](N)(=O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C(CCN)CC(C(=O)O)NS(=O)(=O)N
Canonical SMILES CACTVS 3.385 NCCCC[C@H](N[S](N)(=O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C(CCN)C[C@@H](C(=O)O)NS(=O)(=O)N

IUPAC InChI

InChI=1S/C6H15N3O4S/c7-4-2-1-3-5(6(10)11)9-14(8,12)13/h5,9H,1-4,7H2,(H,10,11)(H2,8,12,13)/t5-/m0/s1

IUPAC InChI key

IASBEZUWLDLXMF-YFKPBYRVSA-N
7B0

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-09-27

Last modified at

2016-10-21

Status

Released

Obsoleted

Not Assigned