Molecule FYI-1016536

A

Molecule Summary:

ID: FYI-1016536
Names:
InChIKey: HMNSRTLZAJHSIK-YUMQZZPRSA-N
SMILES: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O

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

Molecule ID: FYI-1016536 Edit

Molecule Structure InChIKey: HMNSRTLZAJHSIK-YUMQZZPRSA-N

Molecule Structure SMILES String: N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016536
FYIcenter.com

 19 19  0  0  1  0  0  0  0  0999 V2000
   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
    6.0622    0.0000    0.0000 O   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
    8.4871    0.0000    0.0000 O   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
    2.4250    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
    1.2124    4.2000    0.0000 N   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
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  1  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  6  0  0  0
 11 19  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016536-3D
FYIcenter.com

 40 40  0     1  0  0  0  0  0999 V2000
   -2.3043   -0.4867    1.7905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7159    2.4568   -1.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2718    3.7038    0.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7145   -2.1506    0.3248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1808    0.4512   -0.0205 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9909   -0.6182   -0.5949 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7076   -1.3261    0.9290 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850   -1.5490   -1.3224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7762   -1.2971   -0.4035 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6271   -0.4849   -1.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0702   -0.8261   -1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9861   -1.4354    0.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0722   -0.4206    0.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3952    1.4141    0.7089 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9540    0.8478    1.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614    0.3930    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    2.6529   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652   -0.1965    0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495   -1.1284   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314   -1.9061   -0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4749    0.5965   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4231   -0.7648   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4612   -1.5598   -1.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7215    0.0527   -1.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8224   -2.1105    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760   -0.6555    1.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3846   -2.3816    1.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    1.7144    1.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447    0.3892   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7762   -0.0029    1.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829    1.6089    1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    1.2380   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -0.3589   -0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398   -1.0544    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6897    0.5629    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6009    3.2527   -1.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2261   -1.0733    1.7845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6294   -1.7375    1.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8945   -1.9512   -1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7126   -1.4687   -2.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  1  0  0  0  0
  2 36  1  0  0  0  0
  3 17  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 29  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  2  0  0  0  0
  7 19  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 19  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$

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