Molecule FYI-1010835

A

Molecule Summary:

ID: FYI-1010835
Names:
InChIKey: GQAGJBDOVWXYQZ-GUBBLXHUSA-N
SMILES: C/C=C/C=C(C)/C(=O)N[C@H](C=O)[C@@H](C)CC

Received at FYIcenter.com on: 2024-07-15

Molecule ID: FYI-1010835 Edit

Molecule Structure InChIKey: GQAGJBDOVWXYQZ-GUBBLXHUSA-N

Molecule Structure SMILES String: C/C=C/C=C(C)/C(=O)N[C@H](C=O)[C@@H](C)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1010835
FYIcenter.com

 16 15  0  0  1  0  0  0  0  0999 V2000
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   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
  3  4  1  6  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  5  8  1  6  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010835-3D
FYIcenter.com

 37 36  0     1  0  0  0  0  0999 V2000
   -1.4339   -2.6703    0.1157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2602    1.9914    1.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.0921    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668    0.1729   -0.6824 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8779   -0.3082    0.3978 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3432    0.0078   -0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6490   -0.5342   -2.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7100    0.7621    1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -1.7816    0.7223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1986    1.0503    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.1070   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8992    2.3019   -0.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4442    0.1257    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8387    0.0092   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6199   -1.0025    0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603   -1.1392   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830    1.2430   -0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    0.2343    1.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5919   -1.0526   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9832    0.3798   -1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -1.6055   -1.9662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211   -0.4104   -2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092   -0.1098   -2.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302   -0.7950   -0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2346    0.3240    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7926    0.7214    1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4179    1.8146    0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602   -2.0263    1.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002    3.2123   -0.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623    2.2385   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339    2.4100   -1.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0733   -0.6659    0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7776   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127   -1.7839    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2193   -2.0810   -0.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6783   -1.1472    0.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4040   -0.3214   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 1278👍, 0💬