KEGG   COMPOUND: C02138
Entry
C02138                      Compound                               
Name
Boc-Asn-OPhNO2
Formula
C15H19N3O7
Exact mass
353.1223
Mol weight
353.3273
Structure
Other DBs
PubChem: 5217
ChEBI: 3147
NIKKAJI: J421.729B
LinkDB
KCF data

ATOM        25
            1   C8y C     0.0448    1.0276
            2   O7a O    -0.6034    0.6517
            3   C8x C     0.6966    0.6517
            4   C8x C     0.0448    1.7724
            5   C7a C    -0.6034   -0.0793
            6   C8x C     1.3483    1.0241
            7   C8x C     0.6931    2.1517
            8   C1c C    -1.2586   -0.4448
            9   O6a O     0.0345   -0.4724
            10  C8y C     1.3448    1.7759
            11  N1b N    -1.2655   -1.2207
            12  C1b C    -1.9310   -0.0759
            13  N2b N     1.9931    2.1517 #+
            14  C7a C    -0.6138   -1.5966
            15  C5a C    -2.5414   -0.4793
            16  O3a O     1.9862    3.2966
            17  O3a O     2.8897    1.8310 #-
            18  O7a O     0.0345   -1.2172
            19  O6a O    -0.6138   -2.3448
            20  N1a N    -2.5552   -1.1621
            21  O5a O    -3.2241   -0.1517
            22  C1d C     0.6828   -1.5931
            23  C1a C     1.3310   -1.2172
            24  C1a C     0.6862   -2.3414
            25  C1a C     1.4034   -1.9414
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     6  10 1
            10    8  11 1 #Up
            11    8  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   15  20 1
            20   15  21 2
            21   18  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 1
            25    7  10 2

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