
 CHEMBL2370916

697699  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2370916

>  <PubChem CID>
73353094

>  <Formula>
C211H362N58O66

>  <Molecular Weight>
4767.557000

>  <IUPAC Name>


>  <XlogP>
-23.3

>  <Hydrogen Bond Donors>
64

>  <Hydrogen Bond Acceptors>
73

>  <Canonical SMILES>
CCCCC(C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)C)C(=O)N(C)C(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C(CCC(=O)O)N

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)C)C(=O)N(C)[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CCC(=O)O)N

>  <InChI Std. ID>
InChI=1S/C211H362N58O66/c1-29-35-50-117(232-174(300)118(51-36-41-78-212)233-178(304)122(56-46-83-228-210(223)224)237-188(314)133(87-102(7)8)250-191(317)136(90-105(13)14)249-185(311)129(66-75-159(286)287)244-189(315)134(88-103(9)10)254-199(325)144(100-270)259-194(320)139(93-108(19)20)253-197(323)142(96-162(292)293)258-205(331)167(112(24)33-5)264-200(326)145(101-271)260-206(332)168(113(25)34-6)265-201(327)146-58-48-86-269(146)209(335)147-59-49-85-268(147)155(279)99-230-172(298)116(216)60-72-156(280)281)186(312)262-165(110(22)31-3)204(330)246-131(68-77-161(290)291)187(313)263-166(111(23)32-4)203(329)245-130(67-76-160(288)289)184(310)236-119(52-37-42-79-213)175(301)240-125(62-70-150(218)274)180(306)243-128(65-74-158(284)285)183(309)235-121(54-39-44-81-215)177(303)242-127(64-73-157(282)283)182(308)234-120(53-38-43-80-214)176(302)241-126-63-71-154(278)227-82-45-40-55-132(247-171(297)114(26)231-173(299)124(239-181(126)307)61-69-149(217)273)208(334)267(28)148(98-153(221)277)202(328)257-141(95-152(220)276)196(322)255-140(94-151(219)275)195(321)238-123(57-47-84-229-211(225)226)179(305)248-135(89-104(11)12)190(316)251-137(91-106(15)16)192(318)252-138(92-107(17)18)193(319)256-143(97-163(294)295)198(324)266-169(115(27)272)207(333)261-164(170(222)296)109(21)30-2/h102-148,164-169,270-272H,29-101,212-216H2,1-28H3,(H2,217,273)(H2,218,274)(H2,219,275)(H2,220,276)(H2,221,277)(H2,222,296)(H,227,278)(H,230,298)(H,231,299)(H,232,300)(H,233,304)(H,234,308)(H,235,309)(H,236,310)(H,237,314)(H,238,321)(H,239,307)(H,240,301)(H,241,302)(H,242,303)(H,243,306)(H,244,315)(H,245,329)(H,246,330)(H,247,297)(H,248,305)(H,249,311)(H,250,317)(H,251,316)(H,252,318)(H,253,323)(H,254,325)(H,255,322)(H,256,319)(H,257,328)(H,258,331)(H,259,320)(H,260,332)(H,261,333)(H,262,312)(H,263,313)(H,264,326)(H,265,327)(H,266,324)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H4,223,224,228)(H4,225,226,229)/t109-,110-,111-,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,164-,165-,166-,167-,168-,169-/m0/s1

>  <InChI Key>
BBNGUKKQYPAMTB-AASFPDATSA-N

