
 BDBM50158996

671674  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50158996

>  <PubChem CID>
91933214

>  <Formula>
C204H348N56O62S

>  <Molecular Weight>
4609.418000

>  <IUPAC Name>


>  <XlogP>
-18.5

>  <Hydrogen Bond Donors>
62

>  <Hydrogen Bond Acceptors>
69

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)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)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=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)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)CNC(=O)C4CCC(=O)N4

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)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](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=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)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C204H348N56O62S/c1-29-105(20)158(252-180(299)127(64-73-155(277)278)239-196(315)159(106(21)30-2)253-181(300)128(74-84-323-28)236-171(290)116(50-37-41-78-208)225-172(291)117(51-42-79-219-203(215)216)229-182(301)129(85-98(6)7)243-185(304)132(88-101(12)13)245-184(303)131(87-100(10)11)242-179(298)123(59-68-147(212)266)237-193(312)141-53-44-82-259(141)200(319)139(91-104(18)19)250-190(309)137(94-156(279)280)249-197(316)160(107(22)31-3)254-192(311)140(97-261)251-198(317)161(108(23)32-4)255-194(313)142-54-45-83-260(142)201(320)143-55-46-81-258(143)151(270)96-221-166(285)119-60-69-150(269)224-119)195(314)238-126(63-72-154(275)276)178(297)228-114(48-35-39-76-206)169(288)233-122(58-67-146(211)265)175(294)235-125(62-71-153(273)274)177(296)227-115(49-36-40-77-207)170(289)234-124(61-70-152(271)272)176(295)226-113(47-34-38-75-205)168(287)232-121(57-66-145(210)264)174(293)231-120(56-65-144(209)263)167(286)223-110(25)164(283)222-111(26)165(284)240-135(92-148(213)267)189(308)247-136(93-149(214)268)188(307)230-118(52-43-80-220-204(217)218)173(292)241-130(86-99(8)9)183(302)244-133(89-102(14)15)186(305)246-134(90-103(16)17)187(306)248-138(95-157(281)282)191(310)257-163(112(27)262)199(318)256-162(202(321)322)109(24)33-5/h98-143,158-163,261-262H,29-97,205-208H2,1-28H3,(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H2,213,267)(H2,214,268)(H,221,285)(H,222,283)(H,223,286)(H,224,269)(H,225,291)(H,226,295)(H,227,296)(H,228,297)(H,229,301)(H,230,307)(H,231,293)(H,232,287)(H,233,288)(H,234,289)(H,235,294)(H,236,290)(H,237,312)(H,238,314)(H,239,315)(H,240,284)(H,241,292)(H,242,298)(H,243,304)(H,244,302)(H,245,303)(H,246,305)(H,247,308)(H,248,306)(H,249,316)(H,250,309)(H,251,317)(H,252,299)(H,253,300)(H,254,311)(H,255,313)(H,256,318)(H,257,310)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,321,322)(H4,215,216,219)(H4,217,218,220)/t105-,106-,107-,108-,109-,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-,158-,159-,160-,161-,162-,163-/m0/s1

>  <InChI Key>
UHFPGRVNWMYZJB-YVLOLZEYSA-N

