Molecule FYI-1015597

Home > Molecule

A

Molecule Summary:

ID: FYI-1015597
Names:
InChIKey: SWCPLYIDUGDTLB-UHFFFAOYSA-N
SMILES: CSC1CC(O)N(CCCCCC(=[U])NCCCO)C1=O

Received at FYIcenter.com on: 2025-09-10

Molecule ID: FYI-1015597 Edit

Molecule Structure InChIKey: SWCPLYIDUGDTLB-UHFFFAOYSA-N

Molecule Structure SMILES String: CSC1CC(O)N(CCCCCC(=[U])NCCCO)C1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015597
FYIcenter.com

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.5167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8752    0.3388    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2610    1.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5766    2.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    3.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    4.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1821    3.9485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7033    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6031    6.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1242    7.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    8.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454   10.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453   11.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240   10.8694    0.0000 U   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   12.4282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8663   13.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875   14.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2874   15.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8086   17.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3992    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7389    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
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20  7  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015597-3D
FYIcenter.com

 47 47  0  0  1  0  0  0  0  0999 V2000
    0.7600   -4.5708    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164   -4.1395   -0.9529 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963   -5.0565   -0.8336 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8639   -4.4092    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2602   -4.6656   -0.4074 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8427   -5.8362    0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0269   -4.8077   -1.8262 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864   -4.9830   -2.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -3.8889   -3.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1286   -4.1483   -4.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9299   -5.4685   -5.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852   -5.5414   -6.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4359   -6.9058   -7.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9620   -7.6650   -8.4234 U   0  0  0  0  0  0  0  0  0  0  0  0
    4.3661   -7.7452   -6.6847 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4520   -9.1784   -6.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5907   -9.7277   -5.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3725   -9.3839   -4.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4393   -9.8569   -3.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095   -4.9888   -2.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -5.2799   -3.1913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2695   -4.1856    0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4070   -4.0890    1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289   -5.6729    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7149   -6.1387   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7179   -4.6621    1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -3.3116    0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9216   -3.8008   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   -6.6010   -0.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9487   -5.9852   -3.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0790   -4.9651   -2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2928   -2.9111   -3.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0721   -3.8018   -4.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1379   -4.1691   -4.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1069   -3.3054   -5.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0278   -6.3282   -5.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7512   -5.5749   -6.5034 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423   -4.7654   -7.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446   -5.3867   -5.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578   -7.3468   -6.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113   -9.4402   -7.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980   -9.6423   -6.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5603   -9.2987   -6.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395  -10.8312   -6.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -9.8028   -4.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3192   -8.2825   -4.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3006  -10.8334   -3.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 868👍, 0💬