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- ChemComp-N30: (1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURAN... -

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Basic information

EntryDatabase: PDB chemical components / ID: N30
NameName: (1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside

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Chemical information

Composition
Formula: C17H34N4O10 / Number of atoms: 65 / Formula weight: 454.473 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAD / Three letter code: N30 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2
History
Create componentJan 12, 2007
Modify descriptorJun 4, 2011
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 10.04O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CN
CACTVS 3.341NC[CH]1O[CH](O[CH]2[CH](O)[CH](N)C[CH](N)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CN)O)O)O)N

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SMILES CANONICAL

CACTVS 3.341NC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)O)N

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InChI

InChI 1.03InChI=1S/C17H34N4O10/c18-2-6-10(24)13(27)17(28-6)31-15-9(23)4(19)1-5(20)14(15)30-16-8(21)12(26)11(25)7(3-22)29-16/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1

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InChIKey

InChI 1.03FNBQIDOUCINBIA-VVPCINPTSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2R,3S,4R,6S)-4,6-diamino-2-[(5-amino-5-deoxy-beta-D-ribofuranosyl)oxy]-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
OpenEye OEToolkits 1.5.0(2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxy-oxolan-2-yl]oxy-3-hydroxy-cyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

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PDB entries

Showing all 1 items

PDB-2o3x:
Crystal Structure of the Prokaryotic Ribosomal Decoding Site Complexed with Paromamine Derivative NB30

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