Chemical Components in the PDB

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M8V : Summary

Code

M8V

One-letter code

X

Molecule name

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide
OpenEye OEToolkits 2.0.7 2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.5]decan-3-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

Formula

C16 H20 N4 O5 S

Formal charge

0

Molecular weight

380.419 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1NC(CN3C(C2(CCCCC2)NC3=O)=O)=O)S(N)(=O)=O
SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N
Canonical SMILES CACTVS 3.385 N[S](=O)(=O)c1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N

IUPAC InChI

InChI=1S/C16H20N4O5S/c17-26(24,25)12-6-4-11(5-7-12)18-13(21)10-20-14(22)16(19-15(20)23)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,21)(H,19,23)(H2,17,24,25)

IUPAC InChI key

KZSVRJBEJFDDMB-UHFFFAOYSA-N
M8V

wwPDB Information

Atom count

46 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-27

Last modified at

2019-06-07

Status

Released

Obsoleted

Not Assigned