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- ChemComp-SY5: 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-he... -

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Basic information

EntryDatabase: PDB chemical components / ID: SY5
NameName: 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid
Synonyms: N6-(3-aminopropyl)-negamycin

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Chemical information

Composition
Formula: C12H27N5O4 / Number of atoms: 48 / Formula weight: 305.374 / Formal charge: 0
Others

7b5k

Type: non-polymer / PDB classification: HETAIN / Three letter code: SY5 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B5K
History
Create componentDec 3, 2020
Initial releaseMay 26, 2021
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

CACTVS 3.385CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN
OpenEye OEToolkits 2.0.7CN(CC(=O)O)NC(=O)CC(CC(CNCCCN)O)N

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SMILES CANONICAL

CACTVS 3.385CN(CC(O)=O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCN
OpenEye OEToolkits 2.0.7CN(CC(=O)O)NC(=O)C[C@@H](C[C@H](CNCCCN)O)N

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InChI

InChI 1.03InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1

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InChIKey

InChI 1.03VBFFWDLIKBQABV-NXEZZACHSA-N

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PDB entries

Showing all 1 items

PDB-7b5k:
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.

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