
C41H62N12O11.C2H4O2
2855063-75-9 Copyright (C) 2025 ACS
 68 69  0  0  0  0  0  0  0  0999 V2000
    4.8384   14.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2167   11.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 49  1  0  0  0  0
  2  4  1  6  0  0  0
  2  5  1  0  0  0  0
  4 54  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  2  0  0  0  0
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M  END
> <cas.rn>
2855063-75-9

> <ca.index.name>
Not Yet Assigned

> <molecular.formula>
C41H62N12O11.C2H4O2

> <smiles.canonical>
O=C(O)C.O=C(O)CC(N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)O)CC2=CN=CN2)C(C)CC)CC3=CC=C(O)C=C3)C(C)C)CCCNC(=N)N

> <smiles.isomeric>
C(C)(O)=O.C([C@H](CC1=CN=CN1)NC([C@@H](NC([C@H](CC2=CC=C(O)C=C2)NC([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CCCNC(=N)N)=O)[C@@H](C)C)=O)=O)[C@H](CC)C)=O)(=O)N3[C@H](C(O)=O)CCC3

> <molecular.weight>
959.06

$$$$
