Molecule Editor

Molecule ID: FYI-1016514 Edit

Molecule Structure InChIKey: RONYXUUTSLNRBF-JBDRJPRFSA-N

Molecule Structure SMILES String: N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016514
FYIcenter.com

 28 27  0  0  1  0  0  0  0  0999 V2000
   15.7617    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    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
   12.1245    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    0.0000 S   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
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 S   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
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3 17  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  1  0  0  0
 10 17  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  6  0  0  0
 17 23  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  6  0  0  0
 24 27  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016514-3D
FYIcenter.com

 52 51  0  0  1  0  0  0  0  0999 V2000
    3.6913    2.1356    2.2745 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6143    1.8614    1.2853 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2530    2.4470    1.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6887    1.8058    3.3158 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    2.4124   -0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1925    2.7020   -0.9662 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3707    2.5149   -0.3050 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9648    2.9948   -1.5541 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5844    4.4549   -1.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2653    5.6576   -0.6689 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5016    2.8403   -1.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    2.4518   -0.4654 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1880    3.2078   -2.6220 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553    3.2710   -2.6599 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3258    1.9917   -3.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006    0.4594   -2.3041 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036    4.4479   -3.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2222    4.5043   -4.0699 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1921    5.4745   -3.6905 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4999    6.6877   -4.4606 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5970    6.3740   -5.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8087    7.5788   -6.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697    8.3278   -6.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2304    8.8823   -5.4706 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    8.3508   -7.5404 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    7.6888   -4.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862    7.3848   -4.2404 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7947    8.9401   -3.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    1.8685    3.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    3.1469    2.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5280    0.7737    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830    2.2113    0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3112    3.5391    1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414    0.5282    2.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9818    2.1440    0.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5955    2.3391   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992    4.5860   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486    4.7440   -2.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2332    4.8380    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6860    3.4131   -3.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0254    3.4925   -1.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4158    2.0994   -3.1506 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0620    1.8392   -4.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7506    1.0194   -1.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    5.5287   -3.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4441    7.0678   -4.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    5.8606   -6.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4170    5.6658   -6.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9736    8.2853   -6.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8419    7.2276   -7.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7359    7.8753   -8.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7711    9.0678   -3.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2 31  1  6  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 36  1  6  0  0  0
  9 10  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 41  1  1  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 20 46  1  1  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
$$$$