
 D0C9QV

260261  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
D0C9QV

>  <PubChem CID>
44366123

>  <Formula>
C80H131N27O22

>  <Molecular Weight>
1823.095000

>  <IUPAC Name>


>  <XlogP>
-10.8

>  <Hydrogen Bond Donors>
27

>  <Hydrogen Bond Acceptors>
27

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)N(C)C(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)NCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O

>  <InChI Std. ID>
InChI=1S/C80H131N27O22/c1-42(2)34-55(73(123)95-44(4)66(116)103-57(37-60(85)111)74(124)102-54(78(128)129)28-29-59(84)110)104-71(121)50(24-14-16-30-81)100-69(119)52(26-18-32-90-79(86)87)98-65(115)43(3)96-76(126)58(41-108)105-72(122)51(25-15-17-31-82)101-70(120)53(27-19-33-91-80(88)89)99-67(117)45(5)107(7)63(114)40-94-77(127)64(46(6)109)106-75(125)56(36-48-22-12-9-13-23-48)97-62(113)39-92-61(112)38-93-68(118)49(83)35-47-20-10-8-11-21-47/h8-13,20-23,42-46,49-58,64,108-109H,14-19,24-41,81-83H2,1-7H3,(H2,84,110)(H2,85,111)(H,92,112)(H,93,118)(H,94,127)(H,95,123)(H,96,126)(H,97,113)(H,98,115)(H,99,117)(H,100,119)(H,101,120)(H,102,124)(H,103,116)(H,104,121)(H,105,122)(H,106,125)(H,128,129)(H4,86,87,90)(H4,88,89,91)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,64-/m0/s1

>  <InChI Key>
AZDMRQCLZWWKEK-FKPOJLNCSA-N

