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M  END
> <PUBCHEM_COMPOUND_CID>
91828197

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2410

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
18

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//ABgAAAAAAAAAAAAGDAAAAAAAAA8eIEAAAAAAACx/gAAHgQQCAAADazl3gayzvPIFgioAyXyXASCgSAnYjAImKG/bNgKZvbylbOXcUhm9hH42Qe4yKCOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C53H62N10O14S2/c1-25-20-52(25)50(74)76-22-34(59-44(69)39-37(65)19-30-15-11-13-17-32(30)57-39)42(67)55-28(4)46(71)61(6)40-48(73)63(8)53(21-26(53)2)51(75)77-23-33(58-43(68)38-36(64)18-29-14-10-12-16-31(29)56-38)41(66)54-27(3)45(70)60(5)35(47(72)62(52)7)24-79-49(40)78-9/h10-19,25-28,33-35,40,49,64-65H,20-24H2,1-9H3,(H,54,66)(H,55,67)(H,58,68)(H,59,69)/t25-,26-,27-,28-,33+,34+,35-,40+,49+,52-,53-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HBQDLHJADJTNRK-LIXMYSHJSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
1126.38883904

> <PUBCHEM_MOLECULAR_FORMULA>
C53H62N10O14S2

> <PUBCHEM_MOLECULAR_WEIGHT>
1127.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1C[C@@]12C(=O)OC[C@H](C(=O)N[C@H](C(=O)N([C@H]3[C@@H](SC[C@@H](C(=O)N2C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@]4(C[C@@H]4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O

> <PUBCHEM_CACTVS_TPSA>
367

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1126.38883904

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
79

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
11

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
993

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
43  2  6
47  22  6
48  24  6
25  62  8
25  68  8
26  63  8
26  69  8
27  31  5
28  32  5
29  33  5
30  34  5
41  98  6
42  99  5
53  58  6
54  59  5
62  64  8
63  65  8
64  66  8
65  67  8
66  70  8
67  71  8
68  70  8
68  72  8
69  71  8
69  73  8
70  74  8
71  75  8
72  76  8
73  77  8
74  78  8
75  79  8
76  78  8
77  79  8

$$$$
