
 CID 73353878

335335  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 73353878

>  <PubChem CID>
73353878

>  <Formula>
C100H178N30O26S

>  <Molecular Weight>
2248.768000

>  <IUPAC Name>


>  <XlogP>
-4.3

>  <Hydrogen Bond Donors>
37

>  <Hydrogen Bond Acceptors>
32

>  <Canonical SMILES>
CCCCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C100H178N30O26S/c1-10-11-12-13-14-15-16-17-18-19-20-21-25-40-78(137)115-62(37-30-43-110-98(104)105)82(140)129-76(55-157)95(153)122-68(47-57(4)5)88(146)126-74(53-134)93(151)128-75(54-135)94(152)127-71(50-131)90(148)113-60(9)81(139)130-79(58(6)7)96(154)114-59(8)80(138)120-69(49-77(103)136)89(147)117-66(39-32-45-112-100(108)109)86(144)125-72(51-132)91(149)118-63(35-26-28-41-101)83(141)116-64(36-27-29-42-102)85(143)124-73(52-133)92(150)119-65(38-31-44-111-99(106)107)84(142)121-67(46-56(2)3)87(145)123-70(97(155)156)48-61-33-23-22-24-34-61/h22-24,33-34,56-60,62-76,79,131-135,157H,10-21,25-32,35-55,101-102H2,1-9H3,(H2,103,136)(H,113,148)(H,114,154)(H,115,137)(H,116,141)(H,117,147)(H,118,149)(H,119,150)(H,120,138)(H,121,142)(H,122,153)(H,123,145)(H,124,143)(H,125,144)(H,126,146)(H,127,152)(H,128,151)(H,129,140)(H,130,139)(H,155,156)(H4,104,105,110)(H4,106,107,111)(H4,108,109,112)/t59-,60-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,79-/m0/s1

>  <InChI Key>
CNYNOIZUSNQQJY-CJYMJSOWSA-N

