Chemical Components in the PDB

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SYL : Summary

Code

SYL

One-letter code

X

Molecule name

(1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R)-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol
OpenEye OEToolkits 2.0.7 (1~{R})-1-[3-(cyclohexylmethoxy)phenyl]-3-(methylamino)propan-1-ol

Formula

C17 H27 N O2

Formal charge

0

Molecular weight

277.402 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CNCCC(O)c1cc(OCC2CCCCC2)ccc1
SMILES CACTVS 3.385 CNCC[CH](O)c1cccc(OCC2CCCCC2)c1
SMILES OpenEye OEToolkits 2.0.7 CNCCC(c1cccc(c1)OCC2CCCCC2)O
Canonical SMILES CACTVS 3.385 CNCC[C@@H](O)c1cccc(OCC2CCCCC2)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CNCC[C@H](c1cccc(c1)OCC2CCCCC2)O

IUPAC InChI

InChI=1S/C17H27NO2/c1-18-11-10-17(19)15-8-5-9-16(12-15)20-13-14-6-3-2-4-7-14/h5,8-9,12,14,17-19H,2-4,6-7,10-11,13H2,1H3/t17-/m1/s1

IUPAC InChI key

ZUJMXLRQVDCTHJ-QGZVFWFLSA-N
SYL

wwPDB Information

Atom count

47 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-07-13

Last modified at

2023-05-19

Status

Released

Obsoleted

Not Assigned