
 BDBM50144874

183189  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50144874

>  <PubChem CID>
91932909

>  <Formula>
C68H80N18O17

>  <Molecular Weight>
1421.497000

>  <IUPAC Name>


>  <XlogP>
-2.0

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
CC1C(=O)NC(C(=O)C(=O)NC(NC(=O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCNC(=N)N)CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NN)C(=O)NNC(CC6=CC=C(C=C6)O)C(=O)C(=O)O)CC7=CC=CC=C7

>  <Isomeric SMILES>
C[C@@H]1C(=O)N[C@H](C(=O)C(=O)NC(NC(=O)C[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(=O)N)CC2=CNC3=CC=CC=C32)CCCNC(=N)N)CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NN)C(=O)NN[C@H](CC6=CC=C(C=C6)O)C(=O)C(=O)O)CC7=CC=CC=C7

>  <InChI Std. ID>
InChI=1S/C68H80N18O17/c1-35-58(93)77-46(27-36-11-4-2-5-12-36)55(91)65(100)83-57(66(101)86-85-47(56(92)67(102)103)28-38-18-22-41(87)23-19-38)82-54(90)33-51(81-64(99)52(84-72)30-39-20-24-42(88)25-21-39)63(98)78-48(29-37-13-6-3-7-14-37)61(96)76-45(17-10-26-73-68(70)71)59(94)79-49(31-40-34-74-44-16-9-8-15-43(40)44)62(97)80-50(32-53(69)89)60(95)75-35/h2-9,11-16,18-25,34-35,45-52,57,74,84-85,87-88H,10,17,26-33,72H2,1H3,(H2,69,89)(H,75,95)(H,76,96)(H,77,93)(H,78,98)(H,79,94)(H,80,97)(H,81,99)(H,82,90)(H,83,100)(H,86,101)(H,102,103)(H4,70,71,73)/t35-,45+,46+,47-,48-,49-,50+,51-,52+,57?/m1/s1

>  <InChI Key>
BXPSHOXUOUAVOO-XLFZXRFMSA-N

