Molecule FYI-1002019

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Molecule Summary:

ID: FYI-1002019
Names:
InChIKey: NRZRFNYKMSAZBI-UHFFFAOYSA-N
SMILES: CC(C)C(N)C(=O)NCCCS(=O)(=O)O

Received at FYIcenter.com on: 2023-01-18

Molecule ID: FYI-1002019 Edit

Molecule Structure InChIKey: NRZRFNYKMSAZBI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C(N)C(=O)NCCCS(=O)(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1002019
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002019-3D
FYIcenter.com

 33 32  0     1  0  0  0  0  0999 V2000
   -3.4193   -0.5242    0.2185 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.8500    1.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8247   -1.6685   -0.8709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4912    0.4519    0.2909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042   -1.1757    1.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7497    1.1930   -0.8762 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9241    0.2895    0.6968 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -1.3088   -0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    0.1489   -0.3035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5444    1.4316    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905    2.0718   -0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718    1.1547    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4484   -2.2774   -0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -1.8122    0.9264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679    0.1756   -0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -1.3550   -1.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2664    0.4427   -1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519    2.1670    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    1.1856    1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038    2.3373   -1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796    2.9921   -0.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2245   -2.4022   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252   -3.2680   -1.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9236   -1.9283   -1.7479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425   -1.8344    1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8775   -1.1795    1.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3301   -2.8289    0.7975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4301    0.4155   -1.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2950   -0.5956   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8044    0.6048   -1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2768    1.2463    0.6868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7172   -0.2992    0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1841   -2.4126   -0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 15  1  0  0  0  0
  2 12  2  0  0  0  0
  3 33  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2023-01-18, 1019👍, 0💬