
 BDBM82300

613622  0  0  0  0  0  0  0  0999 V2000
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288289  1  0  0  0
289291  1  0  0  0
289290  2  0  0  0
291297  1  0  0  0
291292  1  0  0  0
291583  1  0  0  0
292293  1  0  0  0
292584  1  0  0  0
292585  1  0  0  0
293294  1  0  0  0
293586  1  0  0  0
293587  1  0  0  0
294296  1  0  0  0
294295  2  0  0  0
296588  1  0  0  0
297298  1  0  0  0
297589  1  0  0  0
298300  1  0  0  0
298299  2  0  0  0
300305  1  0  0  0
300301  1  0  0  0
300590  1  0  0  0
301302  1  0  0  0
301591  1  0  0  0
301592  1  0  0  0
302304  1  0  0  0
302303  1  0  0  0
302593  1  0  0  0
303594  1  0  0  0
303595  1  0  0  0
303596  1  0  0  0
304597  1  0  0  0
304598  1  0  0  0
304599  1  0  0  0
305306  1  0  0  0
305600  1  0  0  0
306308  1  0  0  0
306307  2  0  0  0
308312  1  0  0  0
308309  1  0  0  0
308601  1  0  0  0
309310  1  0  0  0
309602  1  0  0  0
309603  1  0  0  0
310311  1  0  0  0
310604  1  0  0  0
310605  1  0  0  0
311312  1  0  0  0
311606  1  0  0  0
311607  1  0  0  0
312313  1  0  0  0
313315  1  0  0  0
313314  2  0  0  0
315317  1  0  0  0
315316  1  0  0  0
315608  1  0  0  0
316609  1  0  0  0
316610  1  0  0  0
316611  1  0  0  0
317612  1  0  0  0
317613  1  0  0  0
M  CHG  4  99   1 113   1 185   1 214   1
M  END

>  <Chemical Name>
BDBM82300

>  <PubChem CID>
91898421

>  <Formula>
C195H302N58O57S+4

>  <Molecular Weight>
4402.970000

>  <IUPAC Name>


>  <XlogP>
-14.8

>  <Hydrogen Bond Donors>
65

>  <Hydrogen Bond Acceptors>
61

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCN=C(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(CCC[NH+]=C(N)N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC5=C[NH+]=CN5)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(CCSC)NC(=O)C9CCCN9C(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)N

>  <Isomeric SMILES>
CCC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(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](CCC[NH+]=C(N)N)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=[NH2+])N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=C[NH+]=CN5)NC(=O)[C@H](C(C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C(C)N

>  <InChI Std. ID>
InChI=1S/C195H298N58O57S/c1-17-96(8)151(182(302)243-135(88-145(200)266)177(297)249-155(103(15)257)186(306)241-130(81-95(6)7)175(295)248-154(102(14)256)184(304)234-125(31-22-73-217-195(210)211)188(308)252-76-25-34-140(252)179(299)230-118(30-21-72-216-194(208)209)161(281)235-127(156(201)276)82-104-36-46-110(258)47-37-104)245-176(296)133(85-107-42-52-113(261)53-43-107)238-162(282)117(29-20-71-215-193(206)207)225-160(280)116(28-19-70-214-192(204)205)226-170(290)128(79-93(2)3)236-166(286)121(58-64-144(199)265)232-183(303)153(101(13)255)247-168(288)123(60-66-148(270)271)229-172(292)132(84-106-40-50-112(260)51-41-106)237-165(285)119(56-62-142(197)263)223-157(277)98(10)220-159(279)115(27-18-69-213-191(202)203)224-163(283)120(57-63-143(198)264)227-164(284)122(59-65-147(268)269)228-173(293)134(87-109-90-212-92-219-109)242-185(305)152(100(12)254)246-158(278)99(11)221-169(289)131(83-105-38-48-111(259)49-39-105)239-174(294)136(89-150(274)275)222-146(267)91-218-178(298)138-32-23-75-251(138)190(310)137(86-108-44-54-114(262)55-45-108)244-167(287)124(68-78-311-16)231-180(300)141-35-26-77-253(141)189(309)126(61-67-149(272)273)233-171(291)129(80-94(4)5)240-181(301)139-33-24-74-250(139)187(307)97(9)196/h36-55,90,92-103,115-141,151-155,254-262H,17-35,56-89,91,196H2,1-16H3,(H2,197,263)(H2,198,264)(H2,199,265)(H2,200,266)(H2,201,276)(H,212,219)(H,218,298)(H,220,279)(H,221,289)(H,222,267)(H,223,277)(H,224,283)(H,225,280)(H,226,290)(H,227,284)(H,228,293)(H,229,292)(H,230,299)(H,231,300)(H,232,303)(H,233,291)(H,234,304)(H,235,281)(H,236,286)(H,237,285)(H,238,282)(H,239,294)(H,240,301)(H,241,306)(H,242,305)(H,243,302)(H,244,287)(H,245,296)(H,246,278)(H,247,288)(H,248,295)(H,249,297)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H4,202,203,213)(H4,204,205,214)(H4,206,207,215)(H4,208,209,216)(H4,210,211,217)/p+4/t96?,97?,98-,99-,100?,101?,102+,103?,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-,151-,152-,153-,154-,155-/m0/s1

>  <InChI Key>
HUJWEJGOJPFOPZ-CIDPVPIWSA-R

