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- ChemComp-7SP: (2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phe... -

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Basic information

EntryDatabase: PDB chemical components / ID: 7SP
NameName: (2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide

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Chemical information

Composition
Formula: C19H17N3O2 / Number of atoms: 41 / Formula weight: 319.357 / Formal charge: 0
Others

3t7p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7SP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3T7P
History
Create componentAug 11, 2011
External linksUniChem / ChemSpider / Brenda / Nikkaji / PubChem / ZINC / 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(N\N=C\c2c1ccccc1c(O)cc2)C(c3ccccc3)N
CACTVS 3.370N[CH](C(=O)NN=Cc1ccc(O)c2ccccc12)c3ccccc3
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(C(=O)NN=Cc2ccc(c3c2cccc3)O)N

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SMILES CANONICAL

CACTVS 3.370N[C@@H](C(=O)N\N=C\c1ccc(O)c2ccccc12)c3ccccc3
OpenEye OEToolkits 1.7.2c1ccc(cc1)[C@H](C(=O)N/N=C/c2ccc(c3c2cccc3)O)N

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InChI

InChI 1.03InChI=1S/C19H17N3O2/c20-18(13-6-2-1-3-7-13)19(24)22-21-12-14-10-11-17(23)16-9-5-4-8-15(14)16/h1-12,18,23H,20H2,(H,22,24)/b21-12+/t18-/m1/s1

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InChIKey

InChI 1.03WWYPXPWOVWOANL-AGKWGAAGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-amino-N'-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]-2-phenylethanehydrazide
OpenEye OEToolkits 1.7.2(2R)-2-azanyl-N-[(E)-(4-oxidanylnaphthalen-1-yl)methylideneamino]-2-phenyl-ethanamide

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PDB entries

Showing all 1 items

PDB-3t7p:
Endothiapepsin in complex with a hydrazide derivative

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