![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
L8N : Summary
Code ![](/pdbe/static/images/help.png)
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L8N
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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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phenyl-(4-sulfamoylphenoxy)phosphinic acid
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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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C12 H12 N O5 P 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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313.266 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H12NO5PS/c13-20(16,17)12-8-6-10(7-9-12)18-19(14,15)11-4-2-1-3-5-11/h1-9H,(H,14,15)(H2,13,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HADGOFIYAKWMTA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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32 (20 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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2019-07-29
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-05
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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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L8N : Atoms of Molecule
Total Number of Atoms: 32
Record |
Atom Name |
Symbol |
PDB Name |
Stereochemistry |
Is Aromatic |
Is Leaving Atom |
Charge |
X-Coordinate |
Y-Coordinate |
Z-Coordinate |
1 |
C1 |
C |
C1 |
N |
Y |
N |
0 |
2.997 |
0.267 |
-0.096 |
2 |
N1 |
N |
N1 |
N |
N |
N |
0 |
4.991 |
-1.456 |
0.698 |
3 |
O1 |
O |
O1 |
N |
N |
N |
0 |
5.244 |
-0.009 |
-1.286 |
4 |
C2 |
C |
C2 |
N |
Y |
N |
0 |
2.34 |
-0.127 |
-1.247 |
5 |
O2 |
O |
O2 |
N |
N |
N |
0 |
5.189 |
0.984 |
1.007 |
6 |
C3 |
C |
C3 |
N |
Y |
N |
0 |
0.973 |
0.042 |
-1.355 |
7 |
O3 |
O |
O3 |
N |
N |
N |
0 |
-1.085 |
0.775 |
-0.412 |
8 |
C4 |
C |
C4 |
N |
Y |
N |
0 |
0.26 |
0.608 |
-0.308 |
9 |
C5 |
C |
C5 |
N |
Y |
N |
0 |
0.922 |
1.002 |
0.846 |
10 |
C6 |
C |
C6 |
N |
Y |
N |
0 |
2.289 |
0.831 |
0.949 |
11 |
C7 |
C |
C7 |
N |
Y |
N |
0 |
-3.71 |
-0.072 |
0.059 |
12 |
C8 |
C |
C8 |
N |
Y |
N |
0 |
-4.113 |
1.201 |
-0.299 |
13 |
C9 |
C |
C9 |
N |
Y |
N |
0 |
-5.46 |
1.511 |
-0.347 |
14 |
C10 |
C |
C10 |
N |
Y |
N |
0 |
-6.402 |
0.548 |
-0.038 |
15 |
C11 |
C |
C11 |
N |
Y |
N |
0 |
-5.999 |
-0.725 |
0.319 |
16 |
C12 |
C |
C12 |
N |
Y |
N |
0 |
-4.652 |
-1.035 |
0.368 |
17 |
S1 |
S |
S1 |
N |
N |
N |
0 |
4.74 |
0.044 |
0.042 |
18 |
P1 |
P |
P1 |
N |
N |
N |
0 |
-1.943 |
-0.481 |
0.116 |
19 |
O5 |
O |
O4 |
N |
N |
N |
0 |
-1.554 |
-0.794 |
1.509 |
20 |
O4 |
O |
O5 |
N |
N |
N |
0 |
-1.658 |
-1.758 |
-0.822 |
21 |
H1 |
H |
H1 |
N |
N |
N |
0 |
5.793 |
-1.954 |
0.475 |
22 |
H2 |
H |
H2 |
N |
N |
N |
0 |
4.337 |
-1.836 |
1.305 |
23 |
H3 |
H |
H3 |
N |
N |
N |
0 |
2.895 |
-0.567 |
-2.062 |
24 |
H4 |
H |
H4 |
N |
N |
N |
0 |
0.46 |
-0.265 |
-2.255 |
25 |
H5 |
H |
H5 |
N |
N |
N |
0 |
0.369 |
1.442 |
1.662 |
26 |
H6 |
H |
H6 |
N |
N |
N |
0 |
2.804 |
1.134 |
1.849 |
27 |
H7 |
H |
H7 |
N |
N |
N |
0 |
-3.377 |
1.953 |
-0.54 |
28 |
H8 |
H |
H8 |
N |
N |
N |
0 |
-5.775 |
2.506 |
-0.626 |
29 |
H9 |
H |
H9 |
N |
N |
N |
0 |
-7.454 |
0.791 |
-0.075 |
30 |
H10 |
H |
H10 |
N |
N |
N |
0 |
-6.735 |
-1.477 |
0.56 |
31 |
H11 |
H |
H11 |
N |
N |
N |
0 |
-4.337 |
-2.03 |
0.643 |
32 |
H12 |
H |
H12 |
N |
N |
N |
0 |
-1.89 |
-1.624 |
-1.751 |
L8N : Chemical Bonds
Total Number of Bonds: 33
Record |
First Atom |
Second Atom |
First Element |
Second Element |
Bond Order Type |
Bond Length |
Bond Stereochemistry |
Is Aromatic |
1 |
C9 |
C10 |
C |
C |
doub |
1.38 |
N |
Y |
2 |
C9 |
C8 |
C |
C |
sing |
1.38 |
N |
Y |
3 |
C10 |
C11 |
C |
C |
sing |
1.38 |
N |
Y |
4 |
C8 |
C7 |
C |
C |
doub |
1.38 |
N |
Y |
5 |
C11 |
C12 |
C |
C |
doub |
1.38 |
N |
Y |
6 |
C7 |
C12 |
C |
C |
sing |
1.38 |
N |
Y |
7 |
C7 |
P1 |
C |
P |
sing |
1.81 |
N |
N |
8 |
O5 |
P1 |
O |
P |
doub |
1.48 |
N |
N |
9 |
P1 |
O3 |
P |
O |
sing |
1.61 |
N |
N |
10 |
P1 |
O4 |
P |
O |
sing |
1.61 |
N |
N |
11 |
O3 |
C4 |
O |
C |
sing |
1.36 |
N |
N |
12 |
C3 |
C4 |
C |
C |
doub |
1.39 |
N |
Y |
13 |
C3 |
C2 |
C |
C |
sing |
1.38 |
N |
Y |
14 |
C4 |
C5 |
C |
C |
sing |
1.39 |
N |
Y |
15 |
C2 |
C1 |
C |
C |
doub |
1.38 |
N |
Y |
16 |
C5 |
C6 |
C |
C |
doub |
1.38 |
N |
Y |
17 |
C1 |
C6 |
C |
C |
sing |
1.38 |
N |
Y |
18 |
C1 |
S1 |
C |
S |
sing |
1.76 |
N |
N |
19 |
O1 |
S1 |
O |
S |
doub |
1.42 |
N |
N |
20 |
S1 |
O2 |
S |
O |
doub |
1.42 |
N |
N |
21 |
S1 |
N1 |
S |
N |
sing |
1.66 |
N |
N |
22 |
N1 |
H1 |
N |
H |
sing |
0.97 |
N |
N |
23 |
N1 |
H2 |
N |
H |
sing |
0.97 |
N |
N |
24 |
C2 |
H3 |
C |
H |
sing |
1.08 |
N |
N |
25 |
C3 |
H4 |
C |
H |
sing |
1.08 |
N |
N |
26 |
C5 |
H5 |
C |
H |
sing |
1.08 |
N |
N |
27 |
C6 |
H6 |
C |
H |
sing |
1.08 |
N |
N |
28 |
C8 |
H7 |
C |
H |
sing |
1.08 |
N |
N |
29 |
C9 |
H8 |
C |
H |
sing |
1.08 |
N |
N |
30 |
C10 |
H9 |
C |
H |
sing |
1.08 |
N |
N |
31 |
C11 |
H10 |
C |
H |
sing |
1.08 |
N |
N |
32 |
C12 |
H11 |
C |
H |
sing |
1.08 |
N |
N |
33 |
O4 |
H12 |
O |
H |
sing |
0.97 |
N |
N |
L8N : Used in PDB Entries
Total Number of PDB Entries: 2
Ligand Code |
PDB Entry ID |
Type |
Total |
Distinct |
L8N |
6sds ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724185819380) |
Bound ligand
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1 |
1 |
L8N |
6sdt ![Open in New Window](/pdbe-srv/pdbechem/images/newwin.png?_debugResources=y&n=1724185819380) |
Bound ligand
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1 |
1 |
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