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- ChemComp-GWO: (2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: GWO
NameName: (2R,4R,5S)-5-azanyl-4-oxidanyl-6-phenyl-2-(phenylmethyl)hexanoic acid

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Chemical information

Composition
Formula: C19H23NO3 / Number of atoms: 46 / Formula weight: 313.391 / Formal charge: 0
Others

7c9i

Type: peptide-like / PDB classification: HETAIN / Three letter code: GWO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7C9I
History
Create componentSep 29, 2020
Initial releaseJan 27, 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 3.385N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(CC(C(Cc2ccccc2)N)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385N[C@@H](Cc1ccccc1)[C@H](O)C[C@@H](Cc2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@H](C[C@H]([C@H](Cc2ccccc2)N)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C19H23NO3/c20-17(12-15-9-5-2-6-10-15)18(21)13-16(19(22)23)11-14-7-3-1-4-8-14/h1-10,16-18,21H,11-13,20H2,(H,22,23)/t16-,17+,18-/m1/s1

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InChIKey

InChI 1.03FXTZKZFWIYSHRP-FGTMMUONSA-N

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