Molecule FYI-1002310

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A

Molecule Summary:

ID: FYI-1002310
Names:
InChIKey: DAVYTPZPVLXKOZ-UHFFFAOYSA-N
SMILES: O=C(NP(=O)(N1CC1)N2CC2)C3CCCN3

Received at FYIcenter.com on: 2023-02-23

Molecule ID: FYI-1002310 Edit

Molecule Structure InChIKey: DAVYTPZPVLXKOZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NP(=O)(N1CC1)N2CC2)C3CCCN3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002310
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.5609    8.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3533    7.4041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    8.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4322    5.9892    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8440    6.1126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6546    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346    5.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    4.5723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3486    3.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204    5.8657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6422    2.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    1.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7784    0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    1.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002310-3D
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    1.1690   -0.5927    0.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -0.3967    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9984   -1.1086   -0.7734 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1084   -2.4126   -1.5955 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.9586   -2.1229   -2.8487 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -3.5131   -0.5536 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4616   -3.4798   -0.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6911   -4.7028   -1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -3.7167   -2.4175 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1955   -3.2341   -3.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476   -4.1229   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2134    0.6467    0.9272 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5906    2.0292    0.8484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483    2.9545    1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9803    2.2074    0.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5444    0.8535    0.3043 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -0.7694   -1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301   -3.4821    0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9156   -2.9468   -1.4831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7269   -5.5258   -0.3096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084   -4.9760   -2.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2494   -3.6642   -4.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -2.2085   -3.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559   -5.1601   -2.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257   -3.6925   -1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373    0.3306    1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7592    2.1567    1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    2.2375   -0.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8119    3.1151    2.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6279    3.9292    0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7523    2.1924    1.4505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    2.6963   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2050    0.1555    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 2287👍, 0💬