
 NPY8-20, Pro34, Ahx

416423  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
NPY8-20, Pro34, Ahx

>  <PubChem CID>
91898958

>  <Formula>
C135H207N39O35

>  <Molecular Weight>
2936.379000

>  <IUPAC Name>


>  <XlogP>
-7.7

>  <Hydrogen Bond Donors>
43

>  <Hydrogen Bond Acceptors>
41

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC4=CN=CN4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)CCCCCNC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C6CCCN6C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C7CCCN7C(=O)C(CC8=CC=C(C=C8)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)CCCCCNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=C(C=C8)O)N

>  <InChI Std. ID>
InChI=1S/C135H207N39O35/c1-11-72(8)108(128(205)166-96(63-104(139)183)118(195)161-91(56-70(4)5)120(197)169-107(71(6)7)127(204)171-109(74(10)177)129(206)158-88(26-19-51-151-135(145)146)132(209)173-53-21-28-101(173)124(201)156-86(25-18-50-150-134(143)144)113(190)159-89(110(140)187)58-76-33-41-81(179)42-34-76)170-121(198)93(60-78-37-45-83(181)46-38-78)162-117(194)94(61-79-65-147-68-152-79)163-114(191)85(24-17-49-149-133(141)142)155-115(192)90(55-69(2)3)160-111(188)73(9)153-122(199)98(66-175)167-116(193)92(59-77-35-43-82(180)44-36-77)154-105(184)30-13-12-16-48-148-112(189)95(62-103(138)182)164-119(196)97(64-106(185)186)165-125(202)102-29-22-54-174(102)131(208)87(23-14-15-47-136)157-123(200)99(67-176)168-126(203)100-27-20-52-172(100)130(207)84(137)57-75-31-39-80(178)40-32-75/h31-46,65,68-74,84-102,107-109,175-181H,11-30,47-64,66-67,136-137H2,1-10H3,(H2,138,182)(H2,139,183)(H2,140,187)(H,147,152)(H,148,189)(H,153,199)(H,154,184)(H,155,192)(H,156,201)(H,157,200)(H,158,206)(H,159,190)(H,160,188)(H,161,195)(H,162,194)(H,163,191)(H,164,196)(H,165,202)(H,166,205)(H,167,193)(H,168,203)(H,169,197)(H,170,198)(H,171,204)(H,185,186)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)/t72-,73-,74+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,107-,108-,109-/m0/s1

>  <InChI Key>
MGPBDEBSKDNSSJ-UMNSLXQDSA-N

