
 CID 72713074

241243  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 72713074

>  <PubChem CID>
72713074

>  <Formula>
C76H123N25O17

>  <Molecular Weight>
1658.978000

>  <IUPAC Name>


>  <XlogP>
-1.0

>  <Hydrogen Bond Donors>
27

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CNC=N3)NC(=O)C(CCCNC(=N)N)NC(=O)C

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C76H123N25O17/c1-11-40(7)59(99-70(115)55(33-45-21-25-48(105)26-22-45)96-67(112)56(34-46-36-85-37-89-46)97-63(108)49(90-43(10)103)16-13-27-86-74(79)80)71(116)98-57(35-58(77)106)68(113)95-54(31-39(5)6)69(114)100-60(41(8)12-2)72(117)101-61(42(9)102)73(118)92-51(18-15-29-88-76(83)84)65(110)94-53(30-38(3)4)66(111)91-50(17-14-28-87-75(81)82)64(109)93-52(62(78)107)32-44-19-23-47(104)24-20-44/h19-26,36-42,49-57,59-61,102,104-105H,11-18,27-35H2,1-10H3,(H2,77,106)(H2,78,107)(H,85,89)(H,90,103)(H,91,111)(H,92,118)(H,93,109)(H,94,110)(H,95,113)(H,96,112)(H,97,108)(H,98,116)(H,99,115)(H,100,114)(H,101,117)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t40-,41-,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-,60-,61-/m0/s1

>  <InChI Key>
LTZAFDDHKCKLIF-OQXRNXRFSA-N

