KEGG   COMPOUND: C11604
Entry
C11604                      Compound                               
Name
N-tert-Butyloxycarbonyl-deacetyl-leupeptin;
N-t-Boc-deacetyl-leupeptin
Formula
C23H44N6O5
Exact mass
484.3373
Mol weight
484.6327
Structure
Other DBs
PubChem: 13769
ChEBI: 7352
NIKKAJI: J2.775.246B
LinkDB
KCF data

ATOM        34
            1   C1c C    27.3617  -19.9209
            2   N1b N    26.1540  -19.2207
            3   C5a C    28.5752  -19.2207
            4   C1b C    27.3617  -21.3210
            5   C5a C    24.9405  -19.9209
            6   N1b N    29.7889  -19.9209
            7   O5a O    28.5752  -17.8204
            8   C1c C    28.5752  -22.0270
            9   C1c C    23.7269  -19.2207
            10  O5a O    24.9405  -21.3210
            11  C1c C    30.9966  -19.2207
            12  C1a C    29.7889  -21.3152
            13  C1a C    28.5811  -23.4331
            14  C1b C    23.7269  -17.8204
            15  N1b N    22.5134  -19.9209
            16  C1b C    32.2101  -19.9209
            17  C4a C    30.9966  -17.8204
            18  C1c C    24.9405  -17.1144
            19  C7a C    21.2997  -19.2207
            20  C1b C    33.4178  -19.2207
            21  O4a O    32.2101  -17.1144
            22  C1a C    24.9405  -15.7141
            23  C1a C    26.1540  -17.8145
            24  O7a O    20.0979  -19.9209
            25  O6a O    21.2997  -17.8204
            26  C1b C    34.6313  -19.9209
            27  N1b N    35.8449  -19.2207
            28  C2c C    37.0584  -19.9209
            29  N1a N    37.0584  -21.3210
            30  N2a N    38.2721  -19.2207
            31  C1d C    18.8865  -19.2277
            32  C1a C    17.6803  -19.9303
            33  C1a C    18.8809  -17.8318
            34  C1a C    18.8762  -20.6220
BOND        33
            1     2   5 1
            2     3   6 1
            3     3   7 2
            4     4   8 1
            5     5   9 1
            6     5  10 2
            7     6  11 1
            8     8  12 1
            9     8  13 1
            10    9  14 1
            11    9  15 1 #Up
            12   11  16 1
            13   11  17 1
            14   14  18 1
            15   15  19 1
            16   16  20 1
            17   17  21 2
            18   18  22 1
            19   18  23 1
            20   19  24 1
            21   19  25 2
            22   20  26 1
            23   26  27 1
            24   27  28 1
            25   28  29 1
            26   28  30 2
            27   24  31 1
            28    1   2 1
            29   31  32 1
            30    1   3 1
            31   31  33 1
            32    1   4 1
            33   31  34 1

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