Compound

n.a.

NSID

NS00209000

SMILES

O=C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@H](C(N3[C@@H](CCC3)C(N[C@H](C(N[C@H](C(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H]5CO)=O)=O)C)=O)CC(C)C)=O)CCC(N)=O)=O)[C@@H](C)O)=O)CC(N)=O)=O)CCCNC(N)=N)=O)CSSC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC6=CC=CC=C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H]([C@H](CC)C)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC7=CN=CN7)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC8=CC=C(O)C=C8)C(N[C@@H](CCC(O)=O)C(O)=O)=O)=O)CCCCN)=O)CC(C)C)=O)[C@@H](C)O)=O)=O)CC(O)=O)=O)[C@H](CC)C)=O)CC(N)=O)=O)C)=O)[C@H](CC)C)=O)=O)CC(O)=O)=O)CC(O)=O)=O)CC(C)C)=O)CC(N)=O)=O)=O)CCCCN)=O)[C@@H](C)O)=O)CO)=O)C(C)C)=O)=O)CCC(N)=O)=O)CCC(N)=O)=O)C)=O)CCCNC(N)=N)=O)[C@@H](C)O)=O)CCCCN)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC5=O)CO)=O)CCC(O)=O)=O)CC(C)C)=O)C)=O)C)=O)CCC(O)=O)=O)=O)[C@@H](C)O)=O)CCC(O)=O)=O)[C@H](CC)C)=O)=O)CC(N)=O)=O)CO)=O)=O)CCC(N)=O)=O)=O)CCCCN)=O)CC(C)C)=O)CO)=O)=O)CC(O)=O)=O)C(C)C)=O)CC(N)=O)=O)CCC(O)=O)=O)[C@H](CC)C)=O)C(C)C)=O)CO)=O)CC(N)=O)=O)=O)CC(O)=O)=O)[C@H](CC)C)=O)CO)[C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC9=CC=C(O)C=C9)NC(CNC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N%10)C(C)C)=O)CC(C)C)=O)[C@@H](C)O)=O)CO)=O)[C@@H](C)O)=O)CSSC[C@@H](C(N[C@@H](CC%11=CC=C(O)C=C%11)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@H](C%10=O)CO)=O)=O)=O)[C@H](CC)C)=O)C)=O)CO)=O)CC(N)=O)=O)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC%12=CC=CC=C%12)NC([C@@H](NC(CNC([C@H](CC(C)C)N[H])=O)=O)CCCCN)=O)=O)CO)=O)CCC(N)=O)=O)[C@@H](C)O)=O)=O)CCC(O)=O)=O)CCCNC(N)=N)=O)[C@@H](C)O)=O)CC(N)=O)=O)=O)=O)=O)CC(N)=O)=O)[C@@H](C)O)=O)CO

InChI

InChI=1S/C470H743N133O164S4/c1-55-217(32)357(449(748)516-228(43)378(677)541-294(170-331(488)640)425(724)591-361(221(36)59-5)454(753)567-299(175-349(665)666)384(683)509-187-341(650)582-364(230(45)616)456(755)563-279(155-211(20)21)405(704)526-255(96-74-79-141-472)387(686)548-283(161-244-106-112-249(627)113-107-244)409(708)540-273(467(766)767)127-139-347(661)662)589-423(722)288(164-247-180-498-204-510-247)553-417(716)300(176-350(667)668)561-418(717)301(177-351(669)670)560-407(706)278(154-210(18)19)544-414(713)293(169-330(487)639)565-453(752)360(220(35)58-4)588-397(696)258(99-77-82-144-475)533-458(757)367(233(48)619)601-438(737)313(198-614)575-447(746)355(215(28)29)583-421(720)285(158-241-89-67-63-68-90-241)549-392(691)264(118-130-322(479)631)529-390(689)263(117-129-321(478)630)522-377(676)227(42)513-385(684)259(100-83-145-499-468(492)493)534-457(756)365(231(46)617)594-398(697)257(98-76-81-143-474)527-440(739)315-200-768-769-201-316(441(740)528-260(101-84-146-500-469(494)495)389(688)554-296(172-333(490)642)426(725)599-366(232(47)618)459(758)538-265(119-131-323(480)632)393(692)542-274(150-206(10)11)402(701)512-224(39)374(673)504-183-338(647)520-304(189-605)430(729)572-308(193-609)432(731)531-269(124-136-344(655)656)394(693)543-275(151-207(12)13)403(702)514-225(40)375(674)511-226(41)376(675)523-267(396(695)578-315)122-134-342(651)652)579-463(762)372(238(53)624)597-401(700)271(126-138-346(659)660)537-451(750)359(219(34)57-3)590-422(721)286(159-242-91-69-64-70-92-242)550-413(712)290(166-327(484)636)559-433(732)309(194-610)574-444(743)319-103-86-148-603(319)466(765)272(121-133-325(482)634)539-412(711)287(163-246-179-502-253-94-72-71-93-251(246)253)552-388(687)256(97-75-80-142-473)525-404(703)276(152-208(14)15)546-429(728)303(188-604)519-340(649)186-508-383(682)298(174-348(663)664)566-446(745)353(213(24)25)584-424(723)295(171-332(489)641)555-395(694)270(125-137-345(657)658)536-452(751)363(223(38)61-7)593-448(747)356(216(30)31)586-436(735)311(196-612)571-416(715)291(167-328(485)637)556-406(705)277(153-209(16)17)545-419(718)302(178-352(671)672)568-455(754)362(222(37)60-6)592-437(736)312(197-613)573-434(733)310(195-611)576-461(760)370(236(51)622)600-427(726)297(173-334(491)643)558-408(707)281(160-243-104-110-248(626)111-105-243)518-336(645)182-503-335(644)181-506-382(681)289(165-326(483)635)564-460(759)368(234(49)620)595-399(698)261(102-85-147-501-470(496)497)524-391(690)268(123-135-343(653)654)532-442(741)317-202-770-771-203-318(581-464(763)371(237(52)623)596-400(699)266(120-132-324(481)633)530-431(730)307(192-608)570-411(710)282(157-240-87-65-62-66-88-240)547-386(685)254(95-73-78-140-471)517-337(646)184-505-380(679)252(476)149-205(8)9)443(742)551-284(162-245-108-114-250(628)115-109-245)410(709)557-292(168-329(486)638)415(714)569-306(191-607)428(727)515-229(44)379(678)587-358(218(33)56-2)450(749)535-262(116-128-320(477)629)381(680)507-185-339(648)521-305(190-606)435(734)585-354(214(26)27)445(744)562-280(156-212(22)23)420(719)598-369(235(50)621)462(761)577-314(199-615)439(738)602-373(239(54)625)465(764)580-317/h62-72,87-94,104-115,179-180,204-239,252,254-319,353-373,502,604-628H,55-61,73-86,95-103,116-178,181-203,471-476H2,1-54H3,(H2,477,629)(H2,478,630)(H2,479,631)(H2,480,632)(H2,481,633)(H2,482,634)(H2,483,635)(H2,484,636)(H2,485,637)(H2,486,638)(H2,487,639)(H2,488,640)(H2,489,641)(H2,490,642)(H2,491,643)(H,498,510)(H,503,644)(H,504,673)(H,505,679)(H,506,681)(H,507,680)(H,508,682)(H,509,683)(H,511,674)(H,512,701)(H,513,684)(H,514,702)(H,515,727)(H,516,748)(H,517,646)(H,518,645)(H,519,649)(H,520,647)(H,521,648)(H,522,676)(H,523,675)(H,524,690)(H,525,703)(H,526,704)(H,527,739)(H,528,740)(H,529,689)(H,530,730)(H,531,731)(H,532,741)(H,533,757)(H,534,756)(H,535,749)(H,536,751)(H,537,750)(H,538,758)(H,539,711)(H,540,708)(H,541,677)(H,542,692)(H,543,693)(H,544,713)(H,545,718)(H,546,728)(H,547,685)(H,548,686)(H,549,691)(H,550,712)(H,551,742)(H,552,687)(H,553,716)(H,554,688)(H,555,694)(H,556,705)(H,557,709)(H,558,707)(H,559,732)(H,560,706)(H,561,717)(H,562,744)(H,563,755)(H,564,759)(H,565,752)(H,566,745)(H,567,753)(H,568,754)(H,569,714)(H,570,710)(H,571,715)(H,572,729)(H,573,733)(H,574,743)(H,575,746)(H,576,760)(H,577,761)(H,578,695)(H,579,762)(H,580,764)(H,581,763)(H,582,650)(H,583,720)(H,584,723)(H,585,734)(H,586,735)(H,587,678)(H,588,696)(H,589,722)(H,590,721)(H,591,724)(H,592,736)(H,593,747)(H,594,697)(H,595,698)(H,596,699)(H,597,700)(H,598,719)(H,599,725)(H,600,726)(H,601,737)(H,602,738)(H,651,652)(H,653,654)(H,655,656)(H,657,658)(H,659,660)(H,661,662)(H,663,664)(H,665,666)(H,667,668)(H,669,670)(H,671,672)(H,766,767)(H4,492,493,499)(H4,494,495,500)(H4,496,497,501)/t217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230+,231+,232+,233+,234+,235+,236+,237+,238+,239+,252-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,267-,268-,269-,270-,271-,272-,273-,274-,275-,276-,277-,278-,279-,280-,281-,282-,283-,284-,285-,286-,287-,288-,289-,290-,291-,292-,293-,294-,295-,296-,297-,298-,299-,300-,301-,302-,303-,304-,305-,306-,307-,308-,309-,310-,311-,312-,313-,314-,315-,316-,317-,318-,319-,353-,354-,355-,356-,357-,358-,359-,360-,361-,362-,363-,364-,365-,366-,367-,368-,369-,370-,371-,372-,373-/m0/s1

InChIKey

DZMDGZUCGULGAR-ITWLLLEYSA-N

CAS Number

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2D Structure

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Annotation Hits

Screening or library annotations

References

Literature / database references

Patents

Patent records mentioning this compound

Monoisotopic Mass

Placeholder value (update later)

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3D Structure

Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).