Molecule FYI-1016534

A

Molecule Summary:

ID: FYI-1016534
Names:
InChIKey: UHAVFJCNTPHPKH-BJDJZHNGSA-N
SMILES: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

Received at FYIcenter.com on: 2026-01-19

Molecule ID: FYI-1016534 Edit

Molecule Structure InChIKey: UHAVFJCNTPHPKH-BJDJZHNGSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](N)CC(N)=O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016534
FYIcenter.com

 33 33  0  0  1  0  0  0  0  0999 V2000
    7.1878    9.3089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5192    9.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8104   11.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7699   12.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0609   13.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   11.6151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5597    8.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8911    9.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2686    7.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3089    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6405    6.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9315    8.3006    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6865    4.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    4.4834    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
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 19  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  1  0  0  0
 12 19  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 26  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  1  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  6  0  0  0
 27 32  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016534-3D
FYIcenter.com

 65 65  0  0  1  0  0  0  0  0999 V2000
    6.9867    2.3279   -4.0925 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0600    2.8757   -5.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0099    3.7683   -5.5892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2001    2.6616   -6.2685 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    1.6667   -6.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6862    0.2821   -6.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -0.7697   -6.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0245   -2.1725   -7.0270 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7320   -3.0477   -6.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138   -3.2241   -5.6227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300   -4.3098   -5.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1035   -2.1400   -5.6392 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4898   -2.6620   -6.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512   -1.4036   -5.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6656   -0.5879   -4.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4612   -1.3477   -4.4248 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4908   -1.8391   -3.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4126   -1.5508   -2.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3052   -2.6640   -2.5717 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5094   -1.8254   -1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487   -2.5484   -1.2658 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456   -4.0032   -2.1152 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4503   -4.2151   -0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6692   -3.3307   -0.1195 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7786   -5.6875   -0.5843 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5068   -6.3699   -0.2324 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5259   -6.5057   -1.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8860   -5.9458   -1.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7878   -5.8670   -0.9514 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2010   -5.6349   -3.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5662   -2.1991   -8.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7385   -2.3616   -8.7413 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202   -1.9738   -9.4174 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7594    2.6466   -3.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5141    4.1635   -4.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6515    4.5050   -6.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306    2.7381   -7.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3602    1.9543   -6.9054 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811    1.6547   -5.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4324    0.0070   -5.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1886    0.3291   -7.5281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152   -0.4215   -7.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0990   -0.8342   -5.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0763   -2.7257   -7.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2082   -3.8853   -5.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8147   -1.4179   -6.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5352   -3.0840   -7.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8359   -3.4289   -5.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3550   -0.8267   -6.8152 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3921   -1.6400   -5.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3477    0.3883   -5.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3562   -0.4073   -3.9522 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6067   -2.8434   -3.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0140   -1.7202   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3516   -0.8126   -1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2592   -3.8230   -1.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8388   -4.6884   -2.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   -5.6513    0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614   -6.2815   -1.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0760   -5.8421    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9524   -6.5994   -2.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6876   -7.5280   -1.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -6.1414    0.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7102   -5.5113   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -1.8656   -9.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 42  1  0  0  0  0
  7 43  1  0  0  0  0
  8 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8 44  1  6  0  0  0
  9 10  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 46  1  6  0  0  0
 13 14  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 17  1  0  0  0  0
 19 53  1  6  0  0  0
 20 21  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 23  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  1  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 28  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 63  1  0  0  0  0
 29 64  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 547👍, 0💬