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FP7 : Summary
Code ![](/pdbe/static/images/help.png)
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FP7
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C19 H20 N2 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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324.374 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c3cc(CN2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O |
SMILES
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CACTVS |
3.385 |
C[CH](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@@H](O)c1ccc(CN2C=C(C=CC2=O)c3c(C)onc3C)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3)[C@@H](C)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H20N2O3/c1-12-19(14(3)24-20-12)17-8-9-18(23)21(11-17)10-15-4-6-16(7-5-15)13(2)22/h4-9,11,13,22H,10H2,1-3H3/t13-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GYFSAKAXGZYFTD-CYBMUJFWSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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44 (24 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2018-04-11
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Last modified at ![](/pdbe/static/images/help.png)
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2018-09-21
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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