Chemical Components in the PDB

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NVP : Summary

Code

NVP

One-letter code

X

Molecule name

11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE

Synonyms

NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE

Systematic names

ProgramVersionName
ACDLabs 10.04 11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Formula

C15 H14 N4 O

Formal charge

0

Molecular weight

266.298 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
SMILES CACTVS 3.341 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
SMILES OpenEye OEToolkits 1.5.0 Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4
Canonical SMILES CACTVS 3.341 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4

IUPAC InChI

InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

IUPAC InChI key

NQDJXKOVJZTUJA-UHFFFAOYSA-N
NVP

wwPDB Information

Atom count

34 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-08-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned