
 CID 53363629

422428  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 53363629

>  <PubChem CID>
53363629

>  <Formula>
C141H207N37O37

>  <Molecular Weight>
3012.429000

>  <IUPAC Name>


>  <XlogP>
-10.4

>  <Hydrogen Bond Donors>
42

>  <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)N(CC5=CC=CC=C5)CC6=CC=CC=C6)NC(=O)C7CCCN7C(=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)N(CC6=CC=CC=C6)CC7=CC=CC=C7)N)O

>  <InChI Std. ID>
InChI=1S/C141H207N37O37/c1-78(2)59-96(172-137(213)108-45-30-58-178(108)115(190)72-157-123(199)105(75-179)176-138(214)118(146)82(8)182)121(197)155-71-114(189)161-103(67-110(145)185)134(210)169-97(60-79(3)4)129(205)158-81(7)119(195)162-94(50-52-116(191)192)127(203)167-95(51-53-117(193)194)128(204)168-98(61-80(5)6)130(206)171-102(66-109(144)184)122(198)156-70-113(188)160-100(64-86-46-48-89(183)49-47-86)132(208)174-106(76-180)135(211)166-92(43-28-56-151-140(147)148)125(201)164-91(42-25-27-55-143)124(200)163-90(41-24-26-54-142)120(196)154-68-111(186)153-69-112(187)159-99(62-83-31-14-9-15-32-83)131(207)175-107(77-181)136(212)170-101(63-84-33-16-10-17-34-84)133(209)165-93(44-29-57-152-141(149)150)126(202)173-104(65-85-35-18-11-19-36-85)139(215)177(73-87-37-20-12-21-38-87)74-88-39-22-13-23-40-88/h9-23,31-40,46-49,78-82,90-108,118,179-183H,24-30,41-45,50-77,142-143,146H2,1-8H3,(H2,144,184)(H2,145,185)(H,153,186)(H,154,196)(H,155,197)(H,156,198)(H,157,199)(H,158,205)(H,159,187)(H,160,188)(H,161,189)(H,162,195)(H,163,200)(H,164,201)(H,165,209)(H,166,211)(H,167,203)(H,168,204)(H,169,210)(H,170,212)(H,171,206)(H,172,213)(H,173,202)(H,174,208)(H,175,207)(H,176,214)(H,191,192)(H,193,194)(H4,147,148,151)(H4,149,150,152)/t81-,82+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,118-/m0/s1

>  <InChI Key>
TWTJAEFHTNZZOT-NQIGCGBXSA-N

