
 CID 44298521

501505  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44298521

>  <PubChem CID>
44298521

>  <Formula>
C157H253N49O41S

>  <Molecular Weight>
3515.113000

>  <IUPAC Name>


>  <XlogP>
-9.2

>  <Hydrogen Bond Donors>
50

>  <Hydrogen Bond Acceptors>
49

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC4=CNC=N4)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC5=CNC=N5)NC(=O)C

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC=N5)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C157H253N49O41S/c1-21-81(12)122(203-129(223)86(17)181-140(234)114(69-121(218)219)191-128(222)85(16)180-139(233)111(182-88(19)210)66-92-70-170-75-177-92)151(245)200-110(63-89-33-25-24-26-34-89)147(241)206-125(87(18)209)153(247)202-116(74-208)149(243)201-115(73-207)148(242)196-109(65-91-42-46-95(212)47-43-91)144(238)188-99(38-31-56-174-156(166)167)132(226)187-100(39-32-57-175-157(168)169)136(230)204-124(83(14)23-3)152(246)199-104(59-77(4)5)130(224)176-72-119(215)183-101(48-50-117(159)213)134(228)193-106(61-79(8)9)142(236)195-108(64-90-40-44-94(211)45-41-90)138(232)179-84(15)127(221)185-98(37-30-55-173-155(164)165)131(225)186-97(35-27-28-53-158)133(227)192-105(60-78(6)7)141(235)194-107(62-80(10)11)143(237)197-112(67-93-71-171-76-178-93)145(239)189-102(49-51-120(216)217)137(231)205-123(82(13)22-2)150(244)190-103(52-58-248-20)135(229)198-113(68-118(160)214)146(240)184-96(126(161)220)36-29-54-172-154(162)163/h24-26,33-34,40-47,70-71,75-87,96-116,122-125,207-209,211-212H,21-23,27-32,35-39,48-69,72-74,158H2,1-20H3,(H2,159,213)(H2,160,214)(H2,161,220)(H,170,177)(H,171,178)(H,176,224)(H,179,232)(H,180,233)(H,181,234)(H,182,210)(H,183,215)(H,184,240)(H,185,221)(H,186,225)(H,187,226)(H,188,238)(H,189,239)(H,190,244)(H,191,222)(H,192,227)(H,193,228)(H,194,235)(H,195,236)(H,196,242)(H,197,237)(H,198,229)(H,199,246)(H,200,245)(H,201,243)(H,202,247)(H,203,223)(H,204,230)(H,205,231)(H,206,241)(H,216,217)(H,218,219)(H4,162,163,172)(H4,164,165,173)(H4,166,167,174)(H4,168,169,175)/t81-,82-,83-,84-,85-,86-,87+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,122-,123-,124-,125-/m0/s1

>  <InChI Key>
HKDXJYGPVQWRKA-YTPRCTGXSA-N

