
 CHEMBL1791215

485488  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1791215

>  <PubChem CID>
56664648

>  <Formula>
C152H250N42O41

>  <Molecular Weight>
3321.925000

>  <IUPAC Name>


>  <XlogP>
-7.9

>  <Hydrogen Bond Donors>
47

>  <Hydrogen Bond Acceptors>
47

>  <Canonical SMILES>
CCCCC1C(=O)NC(C(=O)NC(CCCNCC(=O)CC(C(=O)NC(C(=O)N1)C(C)CC)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)CC)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(C)(CC4=CC=C(C=C4)O)N)C(=O)N)CO

>  <Isomeric SMILES>
CCCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCNCC(=O)C[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@](C)(CC4=CC=C(C=C4)O)N)C(=O)N)CO

>  <InChI Std. ID>
InChI=1S/C152H250N42O41/c1-22-25-38-94-129(215)188-111(73-196)143(229)171-93(121(158)207)41-33-58-164-71-92(201)67-107(141(227)193-119(81(15)24-3)146(232)178-94)184-131(217)100(53-55-114(156)203)177-135(221)102(62-76(6)7)182-136(222)103(63-77(8)9)180-128(214)95(39-29-31-56-153)174-126(212)97(42-34-59-165-150(159)160)172-122(208)83(17)169-142(228)110(72-195)189-137(223)104(64-78(10)11)181-130(216)99(52-54-113(155)202)173-123(209)82(16)167-133(219)101(61-75(4)5)185-145(231)117(79(12)13)191-132(218)96(40-30-32-57-154)175-127(213)98(43-35-60-166-151(161)162)176-138(224)105(66-88-44-48-90(199)49-45-88)183-144(230)112(74-197)190-139(225)108(68-115(157)204)187-148(234)120(86(20)198)194-140(226)106(65-87-36-27-26-28-37-87)186-147(233)118(80(14)23-2)192-125(211)84(18)168-134(220)109(69-116(205)206)179-124(210)85(19)170-149(235)152(21,163)70-89-46-50-91(200)51-47-89/h26-28,36-37,44-51,75-86,93-112,117-120,164,195-200H,22-25,29-35,38-43,52-74,153-154,163H2,1-21H3,(H2,155,202)(H2,156,203)(H2,157,204)(H2,158,207)(H,167,219)(H,168,220)(H,169,228)(H,170,235)(H,171,229)(H,172,208)(H,173,209)(H,174,212)(H,175,213)(H,176,224)(H,177,221)(H,178,232)(H,179,210)(H,180,214)(H,181,216)(H,182,222)(H,183,230)(H,184,217)(H,185,231)(H,186,233)(H,187,234)(H,188,215)(H,189,223)(H,190,225)(H,191,218)(H,192,211)(H,193,227)(H,194,226)(H,205,206)(H4,159,160,165)(H4,161,162,166)/t80-,81-,82-,83-,84-,85-,86+,93-,94+,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-,152-/m0/s1

>  <InChI Key>
CXRATVOFBOFUEG-NIDRVOQQSA-N

