
 CID 44459074

215221  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44459074

>  <PubChem CID>
44459074

>  <Formula>
C73H105N23O14

>  <Molecular Weight>
1528.790000

>  <IUPAC Name>


>  <XlogP>
-3.5

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)CC7=CC=C(C=C7)O

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CNC4=CC=CC=C43)CC5=CNC6=CC=CC=C65)CC7=CC=C(C=C7)O

>  <InChI Std. ID>
InChI=1S/C73H105N23O14/c1-3-40(2)60(68(107)92-52(21-12-32-83-73(79)80)69(108)96-33-13-22-57(96)67(106)93-53(70(109)110)18-8-9-29-74)95-64(103)50(20-11-31-82-72(77)78)90-62(101)49(19-10-30-81-71(75)76)89-63(102)51-27-28-58(98)87-54(34-41-23-25-44(97)26-24-41)61(100)86-39-59(99)88-55(35-42-37-84-47-16-6-4-14-45(42)47)65(104)94-56(66(105)91-51)36-43-38-85-48-17-7-5-15-46(43)48/h4-7,14-17,23-26,37-38,40,49-57,60,84-85,97H,3,8-13,18-22,27-36,39,74H2,1-2H3,(H,86,100)(H,87,98)(H,88,99)(H,89,102)(H,90,101)(H,91,105)(H,92,107)(H,93,106)(H,94,104)(H,95,103)(H,109,110)(H4,75,76,81)(H4,77,78,82)(H4,79,80,83)/t40-,49-,50-,51-,52-,53-,54-,55-,56-,57+,60-/m0/s1

>  <InChI Key>
CASBZFCFDPGIIB-VHBDJONYSA-N

