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RAS : Summary
Code
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RAS
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One-letter code
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X
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Molecule name
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(1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine
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Synonyms
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RASAGILINE, BOUND FORM
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Systematic names
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Formula
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C12 H15 N
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Formal charge
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0
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Molecular weight
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173.254 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1cccc2c1CCC2NC/C=C |
SMILES
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CACTVS |
3.370 |
C=CCN[CH]1CCc2ccccc12 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C=CCNC1CCc2c1cccc2 |
Canonical SMILES
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CACTVS |
3.370 |
C=CCN[C@@H]1CCc2ccccc12 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C=CCN[C@@H]1CCc2c1cccc2 |
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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 |
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wwPDB Information |
Atom count
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28 (13 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2004-01-15
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Last modified at
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2021-03-13
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Status
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Released
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Obsoleted
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Not Assigned
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