Molecule FYI-1001085

A

Molecule Summary:

ID: FYI-1001085
SMILES:

Received at FYIcenter.com on: 2021-12-08

Molecule ID: FYI-1001085 Edit

Download SDF Download SVG Structure in 2D SDF:

FYI-1001085
FYIcenter.com

  5  5  0  0  0  0            999 V2000
   15.2889   -9.6114    0.0000 O   0  0
   14.5278   -9.0585    0.0000 C   0  0
   14.9982  -10.5062    0.0000 C   0  0
   13.7666   -9.6114    0.0000 C   0  0
   14.0574  -10.5062    0.0000 C   0  0
  2  1  1  0
  3  1  1  0
  4  2  1  0
  4  5  1  0
  5  3  1  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2022-04-13, 2109👍, 0💬

Molecule FYI-1001084
Molecule Summary: ID: FYI-1001084 SMILES: C.C[C@H]1CCN2CCCNC2=[NH+]1.NC( =O)O[C@H](C)C(/C)=C/[C@H](C)[C @@H](O)[C@@H](OC)C[C@H](C)CC=1 C(=O)C(NC(=O)C(\\C)=C\\C=C/COC )=CC(=O)C=1NCCCNC(=O)CCCN1C(=O )CC(SCC)C1=OReceived at FYIcenter.com on: 2021-12-06 2022-04-13, 3035🔥, 0💬

Molecule FYI-1001083
Molecule Summary: ID: FYI-1001083 SMILES: Cc1cn([C@@]2([H])C[C@@]([H])([ C@@]([H])(CO[C@@]3([H])[C@@]([ H])([C@]([H])([C@@]([H])([C@@] ([H])(C(=O)O)O3)O)O)O)O2)N=[N+ ]=[N-])c(=O)nc1OReceived at FYIcenter.com on: 2021-12-03 2022-04-13, 2941🔥, 0💬

Molecule FYI-1001087
Molecule Summary: ID: FYI-1001087 SMILES: CCCCOc1ccc2c(c1)O[C@@]1(CC2)CN CC1Received at FYIcenter.com on: 2021-12-12 2022-04-13, 2883🔥, 0💬

Custom Wedge/Hash with SVG output
How to create a molecule structure with custom wedge/hash bonds? I don't like the default presentation of wedge/hash bonds. As shown in the previous tutorial, Open Babel has its own algorithm to detect stereo centers and decide which bond to presented as a wedge or hash bond. The resulting wedge/has... 2021-12-02, 2447🔥, 0💬

R/S (Right/Left) Hand Stereo Centers
Right/Left Hand Stereo Centers? In chemstry study, a stereo center a labeled as R (Rectus, Right in Latin) Hand or S (Sinister, Left in Latin) according to the following rules. 1. Assign precedence ranks to its 4 neighboring branches, as #1, #2, #3, and #4. Neighboring branch with #1 has the highest... 2021-12-02, 2440🔥, 0💬

Molecule FYI-1001090
Molecule Summary: ID: FYI-1001090 SMILES: CO/N=C\\1/C[C@]2(C[C@@H]3C[C@@ H](C/C=C(\\C)/C[C@@H](C)/C=C/C =C/4\\CO[C@H]5[C@H](O)C(=C[C@@ H](C(=O)O3)[C@]45O)C)O2)O[C@@H ]([C@H]1C)/C(=C/C(C)C)/CReceived at FYIcenter.com on: 2021-12-18 2022-04-13, 2339🔥, 0💬

Molecule FYI-1001088
Molecule Summary: ID: FYI-1001088 SMILES: CC1=CC[C@H](CC1=O)C(=C)C Received at FYIcenter.com on: 2021-12-15 2022-04-13, 2302🔥, 0💬

"babel -i sdf -o svg" - Custom Atom Positions
How to create a molecule structure with custom atom positions? You can create a molecule structure with custom atom positions using "obabel -i sdf -o svg" command as shown below. 1. Create a SDF file for your molecule structure. Take the L-Alanin-2D.sdf file used in other tutorials as an example. 2.... 2021-12-01, 2276🔥, 0💬

Molecule FYI-1001085
Molecule Summary: ID: FYI-1001085 SMILES: Received at FYIcenter.com on: 2021-12-08 2022-04-13, 2111🔥, 0💬

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