
 CID 53363631

409414  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 53363631

>  <PubChem CID>
53363631

>  <Formula>
C134H201N37O37

>  <Molecular Weight>
2922.304000

>  <IUPAC Name>


>  <XlogP>
-12.0

>  <Hydrogen Bond Donors>
43

>  <Hydrogen Bond Acceptors>
42

>  <Canonical SMILES>
CC(C)CC(C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NCC(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5)NC(=O)C6CCCN6C(=O)CNC(=O)C(CO)NC(=O)C(C(C)O)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NCC6=CC=CC=C6)N)O

>  <InChI Std. ID>
InChI=1S/C134H201N37O37/c1-72(2)54-89(167-131(207)101-40-27-53-171(101)108(183)68-151-117(193)98(69-172)170-132(208)111(139)76(8)175)114(190)149-67-107(182)155-97(62-103(138)178)128(204)163-90(55-73(3)4)123(199)152-75(7)112(188)156-87(45-47-109(184)185)121(197)161-88(46-48-110(186)187)122(198)162-91(56-74(5)6)124(200)166-96(61-102(137)177)116(192)150-66-106(181)154-94(60-80-41-43-82(176)44-42-80)126(202)168-99(70-173)129(205)160-85(38-25-51-144-133(140)141)119(195)158-84(37-22-24-50-136)118(194)157-83(36-21-23-49-135)113(189)148-64-104(179)146-65-105(180)153-93(58-78-30-15-10-16-31-78)125(201)169-100(71-174)130(206)165-95(59-79-32-17-11-18-33-79)127(203)159-86(39-26-52-145-134(142)143)120(196)164-92(57-77-28-13-9-14-29-77)115(191)147-63-81-34-19-12-20-35-81/h9-20,28-35,41-44,72-76,83-101,111,172-176H,21-27,36-40,45-71,135-136,139H2,1-8H3,(H2,137,177)(H2,138,178)(H,146,179)(H,147,191)(H,148,189)(H,149,190)(H,150,192)(H,151,193)(H,152,199)(H,153,180)(H,154,181)(H,155,182)(H,156,188)(H,157,194)(H,158,195)(H,159,203)(H,160,205)(H,161,197)(H,162,198)(H,163,204)(H,164,196)(H,165,206)(H,166,200)(H,167,207)(H,168,202)(H,169,201)(H,170,208)(H,184,185)(H,186,187)(H4,140,141,144)(H4,142,143,145)/t75-,76+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,111-/m0/s1

>  <InChI Key>
GMOYPWQVVRLIHP-CENRIGGDSA-N

