
 78355-50-7

431440  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
78355-50-7

>  <PubChem CID>
16132342

>  <Formula>
C147H207N41O34S2

>  <Molecular Weight>
3156.646000

>  <IUPAC Name>


>  <XlogP>
-5.2

>  <Hydrogen Bond Donors>
46

>  <Hydrogen Bond Acceptors>
42

>  <Canonical SMILES>
CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)C(CCSC)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CCC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(CC9=CC=CC=C9)NC(=O)CNC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC9=CC=CC=C9)NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C147H207N41O34S2/c1-80(2)64-113(143(221)222)186-135(213)108(67-83-26-11-8-12-27-83)172-119(196)78-166-117(194)76-168-125(203)106(68-85-40-46-90(190)47-41-85)181-128(206)99(34-20-58-160-145(153)154)174-126(204)97(32-17-18-56-148)173-129(207)101(50-52-115(150)192)177-136(214)109(69-86-42-48-91(191)49-43-86)182-139(217)112(72-122(200)201)185-132(210)104(55-63-224-6)179-137(215)110(70-87-73-163-95-30-15-13-28-92(87)95)184-138(216)111(71-88-74-164-96-31-16-14-29-93(88)96)183-130(208)102(51-53-121(198)199)180-140(218)114-37-23-61-188(114)142(220)105(36-22-60-162-147(157)158)170-120(197)79-169-141(219)123(81(3)4)187-133(211)100(35-21-59-161-146(155)156)176-127(205)98(33-19-57-159-144(151)152)175-131(209)103(54-62-223-5)178-134(212)107(66-82-24-9-7-10-25-82)171-118(195)77-165-116(193)75-167-124(202)94(149)65-84-38-44-89(189)45-39-84/h7-16,24-31,38-49,73-74,80-81,94,97-114,123,163-164,189-191H,17-23,32-37,50-72,75-79,148-149H2,1-6H3,(H2,150,192)(H,165,193)(H,166,194)(H,167,202)(H,168,203)(H,169,219)(H,170,197)(H,171,195)(H,172,196)(H,173,207)(H,174,204)(H,175,209)(H,176,205)(H,177,214)(H,178,212)(H,179,215)(H,180,218)(H,181,206)(H,182,217)(H,183,208)(H,184,216)(H,185,210)(H,186,213)(H,187,211)(H,198,199)(H,200,201)(H,221,222)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t94-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,123-/m0/s1

>  <InChI Key>
PCFGFYKGPMQDBX-FEKONODYSA-N

