Chemical Components in the PDB

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RAS : Summary

Code

RAS

One-letter code

X

Molecule name

(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine

Synonyms

RASAGILINE, BOUND FORM

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine
OpenEye OEToolkits 1.7.6 (1R)-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

Formula

C12 H15 N

Formal charge

0

Molecular weight

173.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc2c1CCC2NC/C=C
SMILES CACTVS 3.370 C=CCN[CH]1CCc2ccccc12
SMILES OpenEye OEToolkits 1.7.6 C=CCNC1CCc2c1cccc2
Canonical SMILES CACTVS 3.370 C=CCN[C@@H]1CCc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.6 C=CCN[C@@H]1CCc2c1cccc2

IUPAC InChI

InChI=1S/C12H15N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-6,12-13H,1,7-9H2/t12-/m1/s1

IUPAC InChI key

RPAZWTZFMPXUKS-GFCCVEGCSA-N
RAS

wwPDB Information

Atom count

28 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-01-15

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned