
 GTPL9471

119126  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   1  -1  14   1
M  END

>  <Chemical Name>
GTPL9471

>  <PubChem CID>
124221652

>  <Formula>
C41H47BF2N6O19P2S

>  <Molecular Weight>
1070.664000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCNC(=O)C6C(C(C(C(O6)OP(=O)(O)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=O)NC8=O)O)O)O)O)O)(F)F

>  <Isomeric SMILES>
[B-]1(N2C(=CC=C2C3=CC=CS3)C=C4[N+]1=C(C=C4)C5=CC=C(C=C5)OCC(=O)NCCCCCNC(=O)[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OP(=O)(O)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=O)NC8=O)O)O)O)O)O)(F)F

>  <InChI Std. ID>
InChI=1S/C41H47BF2N6O19P2S/c43-42(44)49-23(19-24-9-13-27(50(24)42)29-5-4-18-72-29)8-12-26(49)22-6-10-25(11-7-22)64-21-31(52)45-15-2-1-3-16-46-38(58)37-34(55)33(54)36(57)40(67-37)68-71(62,63)69-70(60,61)65-20-28-32(53)35(56)39(66-28)48-17-14-30(51)47-41(48)59/h4-14,17-19,28,32-37,39-40,53-57H,1-3,15-16,20-21H2,(H,45,52)(H,46,58)(H,60,61)(H,62,63)(H,47,51,59)/t28?,32?,33-,34-,35?,36+,37-,39?,40+/m0/s1

>  <InChI Key>
DXQJLXWZLNCEJX-VBCGWZPHSA-N

