Chemical Components in the PDB

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RNP : Summary

Code

RNP

One-letter code

X

Molecule name

(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-NAPHTHYLOXY)PROPAN-2-OL

Systematic names

ProgramVersionName
ACDLabs 10.04 (1Z,2R)-1-[(1-methylethyl)imino]-3-(naphthalen-1-yloxy)propan-2-ol
OpenEye OEToolkits 1.5.0 (2R)-1-naphthalen-1-yloxy-3-propan-2-ylimino-propan-2-ol

Formula

C16 H19 N O2

Formal charge

0

Molecular weight

257.328 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N(=C\C(O)COc2cccc1ccccc12)\C(C)C
SMILES CACTVS 3.341 CC(C)N=C[CH](O)COc1cccc2ccccc12
SMILES OpenEye OEToolkits 1.5.0 CC(C)N=CC(COc1cccc2c1cccc2)O
Canonical SMILES CACTVS 3.341 CC(C)N=C[C@@H](O)COc1cccc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)N=C[C@H](COc1cccc2c1cccc2)O

IUPAC InChI

InChI=1S/C16H19NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-10,12,14,18H,11H2,1-2H3/b17-10-/t14-/m1/s1

IUPAC InChI key

LLOTXRYLQVWOGC-AYCSXLNKSA-N
RNP

wwPDB Information

Atom count

38 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-10-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned