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- ChemComp-RHM: DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUI... -

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Basic information

EntryDatabase: PDB chemical components / ID: RHM
NameName: delta-alpha-rh[2R,9R-diamino-4,7-diazadecane]9,10-phenanthrenequinone diimine
Synonyms: RH(ME2TRIEN)PHI

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Chemical information

Composition
Formula: C22H27N6Rh / Number of atoms: 56 / Formula weight: 478.395 / Formal charge: 2
Others

454d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: RHM / Model coordinates PDB-ID: 454D
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04N3=C6c1ccccc1c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C
CACTVS 3.341C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3
OpenEye OEToolkits 1.5.0CC1CNCCN2CC(N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C

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SMILES CANONICAL

CACTVS 3.341C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C4c5ccccc5c6ccccc6C4=N3
OpenEye OEToolkits 1.5.0C[C@@H]1CNCC[N@@]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccccc6C4=N3)C

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InChI

InChI 1.03InChI=1S/C14H8N2.C8H19N4.Rh/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-7(9)5-11-3-4-12-6-8(2)10;/h1-8H;7-11H,3-6H2,1-2H3;/q-2;-3;+7/t;7-,8-;/m.1./s1

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InChIKey

InChI 1.03QQQIEFXIPDSOEX-IEPZTSNKSA-N

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PDB entries

Showing all 1 items

PDB-454d:
INTERCALATION AND MAJOR GROOVE RECOGNITION IN THE 1.2 A RESOLUTION CRYSTAL STRUCTURE OF RH[ME2TRIEN]PHI BOUND TO 5'-G(5IU)TGCAAC-3'

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