Molecule FYI-1007255

A

Molecule Summary:

ID: FYI-1007255
Names:
InChIKey: IDVMOHLXPVVGNN-RYUDHWBXSA-N
SMILES: NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

Received at FYIcenter.com on: 2024-02-13

Molecule ID: FYI-1007255 Edit

Molecule Structure InChIKey: IDVMOHLXPVVGNN-RYUDHWBXSA-N

Molecule Structure SMILES String: NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007255
FYIcenter.com

 20 20  0  0  1  0  0  0  0  0999 V2000
    7.2747   11.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  1  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 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007255-3D
FYIcenter.com

 41 41  0     1  0  0  0  0  0999 V2000
   -0.5744   -0.6760    1.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818    2.6933   -0.7812 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    3.9302    0.3871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2533    0.4188   -0.3772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380   -2.9430   -0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0446    0.2128    0.0150 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076   -1.7071   -0.3926 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8709   -1.8976    0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4468    1.5626    0.1589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7611   -0.6631   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8409    1.7008   -0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -0.6201    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2078   -0.9616    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7037    0.4796   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    2.8424   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    0.3857    0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -0.5551   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3155   -0.7426    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4833   -1.6833   -1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979   -1.7771    0.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.4334   -1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9068   -2.1867    1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3008   -2.7345   -0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379    1.4385    1.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3793    0.1720    0.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -0.3536   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    2.5809   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529    1.8982   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    0.4105   -1.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2594   -1.2557    1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5986   -1.7917   -0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -3.6817   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885   -2.8122   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5385    1.1843    1.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0580   -0.4948   -2.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9928    0.0149    0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7071    0.9850    0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492   -0.8161    1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693   -2.4891   -1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9182   -2.6559    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    3.5429   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 15  1  0  0  0  0
  2 41  1  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 29  1  0  0  0  0
  5  7  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
$$$$

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2024-02-18, 1236👍, 0💬