KEGG   COMPOUND: C15096Help
Entry
C15096                      Compound                               

Name
GV 150013X;
N-Phenyl-N'-[(3R)-2,3,4,5-tetrahydro-2,4-dioxo-1-phenyl-5-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-1,5-benzodiazepin-3-yl]urea
Formula
C33H34N4O3
Exact mass
534.2631
Mol weight
534.6481
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8y C     4.8875   -9.6384
            2   C8y C     5.2394   -8.2876
            3   N1y N     6.5156   -7.7107
            4   C5x C     7.7524   -8.3455
            5   N1y N     5.7388  -10.7611
            6   C1y C     8.0393   -9.7184
            7   C5x C     7.1389  -10.7923
            8   C8y C     5.0946  -12.0224
            9   C8x C     4.2426   -7.3045
            10  C8x C     2.8929   -7.6762
            11  C8x C     2.5409   -9.0271
            12  C8x C     3.5377  -10.0101
            13  O5x O     8.8845   -7.4827
            14  O5x O     7.7122  -12.0577
            15  C8x C     3.6946  -12.0224
            16  C8x C     2.9946  -13.2348
            17  C8x C     3.6946  -14.4472
            18  C8x C     5.0946  -14.4472
            19  C8x C     5.7946  -13.2348
            20  N1b N     9.2624  -10.4300
            21  C5a C    10.4749   -9.7300
            22  N1b N    11.6873  -10.4300
            23  C8y C    12.8997   -9.7300
            24  O5a O    10.4749   -8.3302
            25  C8x C    14.0973  -10.4215
            26  C8x C    15.3098   -9.7216
            27  C8x C    15.3099   -8.3216
            28  C8x C    14.1124   -7.6301
            29  C8x C    12.8999   -8.3300
            30  C1b C     6.5507   -6.3006
            31  C1z C     7.8028   -5.6183
            32  C1x C     8.9655   -6.3285
            33  C1y C    10.1949   -5.6587
            34  C1x C    10.2295   -4.2591
            35  C1y C     9.0668   -3.5490
            36  C1x C     7.8375   -4.2188
            37  C1x C     8.1652   -6.9706
            38  C1y C     9.5175   -6.6083
            39  C1x C    10.8698   -6.9706
            40  C1x C     9.5175   -5.2083
BOND        46
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 2
            7     6   7 1
            8     5   8 1
            9     2   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    1  12 1
            14    4  13 2
            15    7  14 2
            16    8  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21    8  19 1
            22    6  20 1 #Up
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   21  24 2
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   23  29 1
            33    3  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   31  37 1
            42   37  38 1
            43   38  39 1
            44   33  39 1
            45   38  40 1
            46   35  40 1

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