
 CID 44387409

447449  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 44387409

>  <PubChem CID>
44387409

>  <Formula>
C138H226N42O40S

>  <Molecular Weight>
3145.640000

>  <IUPAC Name>


>  <XlogP>
-15.0

>  <Hydrogen Bond Donors>
47

>  <Hydrogen Bond Acceptors>
47

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

>  <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](CC(=O)N)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](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)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](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)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](CC3=CC=C(C=C3)O)N

>  <InChI Std. ID>
InChI=1S/C138H226N42O40S/c1-16-70(9)107(178-113(198)74(13)157-122(207)96(61-105(191)192)167-112(197)72(11)156-114(199)81(141)57-77-35-39-79(185)40-36-77)134(219)173-94(58-76-28-19-18-20-29-76)128(213)180-109(75(14)184)135(220)174-95(60-103(144)189)127(212)177-100(66-183)132(217)171-93(59-78-37-41-80(186)42-38-78)126(211)164-86(34-27-52-154-138(150)151)117(202)162-83(30-21-23-48-139)115(200)155-63-104(190)159-87(43-45-101(142)187)119(204)169-92(56-69(7)8)125(210)176-98(64-181)130(215)158-73(12)111(196)161-85(33-26-51-153-137(148)149)116(201)163-84(31-22-24-49-140)118(203)168-91(55-68(5)6)124(209)170-90(54-67(3)4)123(208)165-88(44-46-102(143)188)120(205)172-97(62-106(193)194)129(214)179-108(71(10)17-2)133(218)166-89(47-53-221-15)121(206)175-99(65-182)131(216)160-82(110(145)195)32-25-50-152-136(146)147/h18-20,28-29,35-42,67-75,81-100,107-109,181-186H,16-17,21-27,30-34,43-66,139-141H2,1-15H3,(H2,142,187)(H2,143,188)(H2,144,189)(H2,145,195)(H,155,200)(H,156,199)(H,157,207)(H,158,215)(H,159,190)(H,160,216)(H,161,196)(H,162,202)(H,163,201)(H,164,211)(H,165,208)(H,166,218)(H,167,197)(H,168,203)(H,169,204)(H,170,209)(H,171,217)(H,172,205)(H,173,219)(H,174,220)(H,175,206)(H,176,210)(H,177,212)(H,178,198)(H,179,214)(H,180,213)(H,191,192)(H,193,194)(H4,146,147,152)(H4,148,149,153)(H4,150,151,154)/t70-,71-,72-,73-,74-,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,107-,108-,109-/m0/s1

>  <InChI Key>
MIZWFTUAUYOYMX-DRXHTHRTSA-N

