KEGG   COMPOUND: C01675Help
Entry
C01675                      Compound                               

Name
Cilastatin
Formula
C16H26N2O5S
Exact mass
358.1562
Mol weight
358.453
Structure
Mol fileKCF fileDB search
Remark
Same as: D07698
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Dipeptidases
    DPEP1
     D07698  Cilastatin (INN)
BRITE hierarchy
Other DBs
CAS: 82009-34-5
PubChem: 4819
ChEBI: 3697
ChEMBL: CHEMBL766
PDB-CCD: CIL[PDBj]
NIKKAJI: J32.849I
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1z C    23.4660  -15.5512
            2   C1a C    24.9013  -15.5512
            3   C1a C    24.1756  -14.3072
            4   C1y C    22.7556  -16.7981
            5   C1x C    22.0262  -15.5658
            6   C5a C    22.7610  -18.1517
            7   N1b N    21.5789  -18.8444
            8   O5a O    23.9492  -18.8444
            9   C2c C    21.5789  -20.2298
            10  C2b C    22.7610  -20.9093
            11  C6a C    20.3848  -20.9093
            12  C1b C    23.9492  -20.2298
            13  O6a O    19.1964  -20.2298
            14  O6a O    20.3848  -22.4828
            15  C1b C    25.1314  -20.9093
            16  C1b C    26.3254  -20.2298
            17  C1b C    27.5138  -20.9093
            18  S2a S    28.6827  -20.2298
            19  C1b C    29.8708  -20.9093
            20  C1c C    31.0724  -20.2298
            21  C6a C    32.2471  -20.9093
            22  N1a N    31.0724  -18.8444
            23  O6a O    32.2471  -22.4828
            24  O6a O    33.4355  -20.2298
BOND        24
            1     5   1 1
            2     1   2 1
            3     1   3 1
            4     4   1 1
            5     4   6 1 #Up
            6     6   7 1
            7     6   8 2
            8     7   9 1
            9     9  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   12  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1 #Down
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24    4   5 1

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