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NFP : Summary
Code ![](/pdbe/static/images/help.png)
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NFP
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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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(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
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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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C17 H19 N O2 S
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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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301.403 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 |
O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2 |
SMILES
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CACTVS |
3.370 |
N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccccc2)N |
Canonical SMILES
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CACTVS |
3.370 |
N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.0 |
c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZPXIQFOUPUVVPU-INIZCTEOSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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40 (21 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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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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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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