KEGG   COMPOUND: C20579
Entry
C20579                      Compound                               

Name
Cyclopeptine;
(3S)-3-Benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Formula
C17H16N2O2
Exact mass
280.1212
Mol weight
280.3211
Structure
Reaction
Enzyme
Other DBs
CAS: 50886-63-0
PubChem: 172232316
PDB-CCD: 58K[PDBj]
KCF data

ATOM        21
            1   C8x C     9.5200  -13.2300
            2   C8x C     9.5200  -14.6300
            3   C8x C    10.7100  -15.3300
            4   C8y C    11.9700  -14.6300
            5   C8y C    11.9700  -13.2300
            6   C8x C    10.7100  -12.5300
            7   N1x N    13.0900  -12.3200
            8   C5x C    14.4200  -12.6700
            9   C1y C    15.0500  -13.9300
            10  N1y N    14.4200  -15.1900
            11  C5x C    13.0900  -15.4700
            12  O5x O    12.8100  -16.8700
            13  O5x O    15.3300  -11.5500
            14  C1b C    16.4500  -13.9300
            15  C8y C    17.1500  -12.7400
            16  C8x C    16.4500  -11.5500
            17  C8x C    17.1500  -10.2900
            18  C8x C    18.5500  -10.2900
            19  C8x C    19.2500  -11.4800
            20  C8x C    18.5500  -12.7400
            21  C1a C    15.4154  -16.4383
BOND        23
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     8   9 1
            8     9  10 1
            9     7   8 1
            10    4  11 1
            11    5   7 1
            12   10  11 1
            13   11  12 2
            14    8  13 2
            15    9  14 1 #Down
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   10  21 1

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