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- ChemComp-ZUN: (4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-... -

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Basic information

EntryDatabase: PDB chemical components / ID: ZUN
NameName: (4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methylisoxazol-5-yl)acetyl]-L-prolinamide

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Chemical information

Composition
Formula: C18H22N4O6 / Number of atoms: 50 / Formula weight: 390.39 / Formal charge: 0
Others

3zun

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZUN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZUN
History
Create componentJul 19, 2011
Modify descriptorSep 5, 2014
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 12.01O=C(N2C(C(=O)NCc1ccc(N(O)O)cc1)CC(O)C2)Cc3onc(c3)C
CACTVS 3.385Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)N(O)O)on1
OpenEye OEToolkits 1.9.2Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)N(O)O)O

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SMILES CANONICAL

CACTVS 3.385Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)on1
OpenEye OEToolkits 1.9.2Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)O

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InChI

InChI 1.03InChI=1S/C18H22N4O6/c1-11-6-15(28-20-11)8-17(24)21-10-14(23)7-16(21)18(25)19-9-12-2-4-13(5-3-12)22(26)27/h2-6,14,16,23,26-27H,7-10H2,1H3,(H,19,25)/t14-,16+/m1/s1

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InChIKey

InChI 1.03WJYVXCQUWDPFNN-ZBFHGGJFSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(4R)-N-[4-(dihydroxyamino)benzyl]-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide
OpenEye OEToolkits 1.9.2(2S,4R)-N-[[4-[bis(oxidanyl)amino]phenyl]methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

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PDB entries

Showing all 1 items

PDB-3zun:
pVHL54-213-EloB-EloC complex_(2S,4R)-4-hydroxy-1-(2-(3-methylisoxazol- 5-yl)acetyl)-N-(4-nitrobenzyl)pyrrolidine-2-carboxamide bound

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