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HYO : Summary
Code
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HYO
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One-letter code
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X
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Molecule name
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[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
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Systematic names
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Formula
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C17 H23 N O3
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Formal charge
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0
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Molecular weight
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289.369 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 |
Canonical SMILES
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CACTVS |
3.385 |
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 |
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IUPAC InChI | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1 |
IUPAC InChI key | RKUNBYITZUJHSG-FXUDXRNXSA-N |
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wwPDB Information |
Atom count
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44 (21 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2020-01-02
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Last modified at
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2020-03-13
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Status
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Released
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Obsoleted
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Not Assigned
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