Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

D0I : Summary

Code

D0I

One-letter code

X

Molecule name

[(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol

Formula

C18 H21 N O

Formal charge

0

Molecular weight

267.365 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[C]1(CCN(Cc2ccccc2)C1)c3ccccc3
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2CCC(C2)(CO)c3ccccc3
Canonical SMILES CACTVS 3.385 OC[C@]1(CCN(Cc2ccccc2)C1)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)CN2CC[C@@](C2)(CO)c3ccccc3

IUPAC InChI

InChI=1S/C18H21NO/c20-15-18(17-9-5-2-6-10-17)11-12-19(14-18)13-16-7-3-1-4-8-16/h1-10,20H,11-15H2/t18-/m1/s1

IUPAC InChI key

SEKWWCPJXPJZKJ-GOSISDBHSA-N
D0I

wwPDB Information

Atom count

41 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-04-06

Last modified at

2023-01-13

Status

Released

Obsoleted

Not Assigned