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- ChemComp-00H: 3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 00H
NameName: 3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid

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Chemical information

Composition
Formula: C11H16NO4P / Number of atoms: 33 / Formula weight: 257.223 / Formal charge: 0
Others

3aho

Type: peptide-like / PDB classification: HETAIN / Three letter code: 00H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AHO
History
Create componentAug 21, 2010
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / 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(O)CCP(=O)(O)C(N)Cc1ccccc1
CACTVS 3.370N[CH](Cc1ccccc1)[P](O)(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(N)P(=O)(CCC(=O)O)O

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SMILES CANONICAL

CACTVS 3.370N[C@@H](Cc1ccccc1)[P](O)(=O)CCC(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H](N)[P@@](=O)(CCC(=O)O)O

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InChI

InChI 1.03InChI=1S/C11H16NO4P/c12-10(8-9-4-2-1-3-5-9)17(15,16)7-6-11(13)14/h1-5,10H,6-8,12H2,(H,13,14)(H,15,16)/t10-/m1/s1

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InChIKey

InChI 1.03CZMVVDBXWOZCRC-SNVBAGLBSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]propanoic acid
OpenEye OEToolkits 1.7.03-[[(1R)-1-azanyl-2-phenyl-ethyl]-hydroxy-phosphoryl]propanoic acid

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