
 CID 25180486

288292  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 25180486

>  <PubChem CID>
25180486

>  <Formula>
C95H150N22O21

>  <Molecular Weight>
1936.378000

>  <IUPAC Name>


>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
23

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)N)NC(=O)C(C)NC(=O)C(CC1=CNC=N1)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CNC

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CNC

>  <InChI Std. ID>
InChI=1S/C95H150N22O21/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-34-78(122)100-39-28-27-32-67(83(97)126)109-85(128)59(9)106-87(130)73(46-63-49-99-54-104-63)113-94(137)76-33-29-40-117(76)81(125)52-103-86(129)68(41-55(2)3)110-88(131)69(42-56(4)5)111-90(133)71(44-61-35-37-64(120)38-36-61)107-80(124)51-102-84(127)58(8)105-93(136)75(53-118)115-91(134)74(47-77(96)121)112-89(132)70(43-57(6)7)114-95(138)82(60(10)119)116-92(135)72(108-79(123)50-98-11)45-62-48-101-66-31-26-25-30-65(62)66/h25-26,30-31,35-38,48-49,54-60,67-76,82,98,101,118-120H,12-24,27-29,32-34,39-47,50-53H2,1-11H3,(H2,96,121)(H2,97,126)(H,99,104)(H,100,122)(H,102,127)(H,103,129)(H,105,136)(H,106,130)(H,107,124)(H,108,123)(H,109,128)(H,110,131)(H,111,133)(H,112,132)(H,113,137)(H,114,138)(H,115,134)(H,116,135)/t58-,59-,60+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-/m0/s1

>  <InChI Key>
KIBFTRZSIFTOGK-OOFOAJPUSA-N

