Chemical Components in the PDB

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P34 : Summary

Code

P34

One-letter code

X

Molecule name

N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N~2~,N~2~-dimethyl-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)glycinamide
OpenEye OEToolkits 1.5.0 2-dimethylamino-N-(6-oxo-5H-phenanthridin-2-yl)ethanamide

Formula

C17 H17 N3 O2

Formal charge

0

Molecular weight

295.336 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc3ccc1c(c2c(C(=O)N1)cccc2)c3)CN(C)C
SMILES CACTVS 3.341 CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1
SMILES OpenEye OEToolkits 1.5.0 CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2
Canonical SMILES CACTVS 3.341 CN(C)CC(=O)Nc1ccc2NC(=O)c3ccccc3c2c1
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2

IUPAC InChI

InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)

IUPAC InChI key

UYJZZVDLGDDTCL-UHFFFAOYSA-N
P34

wwPDB Information

Atom count

39 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-09-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned