EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:751627 - mirostipen

Default Structure
ChEBI IDCHEBI:751627
ChEBI Namemirostipen
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC380H614N112O113S9
Net Charge0
Average Mass8848.366
Monoisotopic Mass8842.32285
SMILES[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSSC[C@]3([H])NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc4cncn4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)CSSC[C@]([H])(NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC2=O)NC(=O)[C@]2([H])CCCN2C(=O)[C@]([H])([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@]2([H])CCCN2C(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@]([H])([C@@H](C)CC)NC3=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@]2([H])C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C380H614N112O113S9/c1-37-191(21)289(361(592)437-220(91-58-65-130-386)319(550)484-294(199(29)502)364(595)439-225(98-72-137-414-379(404)405)308(539)424-218(89-56-63-128-384)312(543)461-253(373(604)605)160-276(393)513)479-318(549)226(99-73-138-415-380(406)407)440-366(597)296(201(31)504)487-339(570)251(164-285(528)529)456-327(558)237(148-185(9)10)445-309(540)217(88-55-62-127-383)427-324(555)235(146-183(5)6)446-317(548)233(124-145-608-36)434-307(538)221(94-68-133-410-375(396)397)426-316(547)232(123-144-607-35)435-349(580)266-180-613-612-179-265-351(582)466-258(172-497)343(574)449-238(149-186(11)12)326(557)447-236(147-184(7)8)325(556)431-229(114-119-279(516)517)314(545)462-257(171-496)344(575)453-243(155-208-104-108-211(507)109-105-208)329(560)452-240(151-204-78-45-41-46-79-204)328(559)432-231(116-121-281(520)521)322(553)485-297(202(32)505)367(598)459-247(158-274(391)511)333(564)464-255(169-494)341(572)433-230(115-120-280(518)519)315(546)470-263-177-610-611-178-264(472-336(567)248(161-282(522)523)443-299(530)195(25)420-340(571)254(168-493)469-368(599)293(198(28)501)483-301(532)197(27)419-323(554)246(157-210-165-408-182-418-210)455-330(561)241(152-205-80-47-42-48-81-205)450-311(542)223(96-70-135-412-377(400)401)429-334(565)249(162-283(524)525)444-302(533)213(388)122-143-606-34)352(583)473-267(353(584)480-290(192(22)38-2)363(594)468-260(174-499)346(577)454-245(156-209-106-110-212(508)111-107-209)338(569)488-298(203(33)506)372(603)492-142-77-102-270(492)355(586)436-224(97-71-136-413-378(402)403)313(544)463-261(175-500)347(578)482-292(194(24)40-4)371(602)491-141-76-103-271(491)357(588)474-265)181-614-609-176-262(348(579)421-196(26)300(531)460-252(159-275(392)512)370(601)490-140-75-101-269(490)356(587)467-259(173-498)345(576)457-250(163-284(526)527)335(566)428-216(87-54-61-126-382)305(536)430-227(112-117-272(389)509)320(551)477-287(189(17)18)358(589)441-228(113-118-273(390)510)321(552)478-288(190(19)20)359(590)475-266)471-332(563)242(153-206-82-49-43-50-83-206)451-310(541)222(95-69-134-411-376(398)399)425-304(535)215(93-67-132-409-374(394)395)422-277(514)166-416-303(534)214(86-53-60-125-381)423-306(537)219(90-57-64-129-385)438-365(596)295(200(30)503)486-337(568)239(150-187(13)14)448-331(562)244(154-207-84-51-44-52-85-207)458-362(593)291(193(23)39-3)481-360(591)286(188(15)16)476-278(515)167-417-354(585)268-100-74-139-489(268)369(600)234(92-59-66-131-387)442-342(573)256(170-495)465-350(263)581/h41-52,78-85,104-111,165,182-203,213-271,286-298,493-508H,37-40,53-77,86-103,112-164,166-181,381-388H2,1-36H3,(H2,389,509)(H2,390,510)(H2,391,511)(H2,392,512)(H2,393,513)(H,408,418)(H,416,534)(H,417,585)(H,419,554)(H,420,571)(H,421,579)(H,422,514)(H,423,537)(H,424,539)(H,425,535)(H,426,547)(H,427,555)(H,428,566)(H,429,565)(H,430,536)(H,431,556)(H,432,559)(H,433,572)(H,434,538)(H,435,580)(H,436,586)(H,437,592)(H,438,596)(H,439,595)(H,440,597)(H,441,589)(H,442,573)(H,443,530)(H,444,533)(H,445,540)(H,446,548)(H,447,557)(H,448,562)(H,449,574)(H,450,542)(H,451,541)(H,452,560)(H,453,575)(H,454,577)(H,455,561)(H,456,558)(H,457,576)(H,458,593)(H,459,598)(H,460,531)(H,461,543)(H,462,545)(H,463,544)(H,464,564)(H,465,581)(H,466,582)(H,467,587)(H,468,594)(H,469,599)(H,470,546)(H,471,563)(H,472,567)(H,473,583)(H,474,588)(H,475,590)(H,476,515)(H,477,551)(H,478,552)(H,479,549)(H,480,584)(H,481,591)(H,482,578)(H,483,532)(H,484,550)(H,485,553)(H,486,568)(H,487,570)(H,488,569)(H,516,517)(H,518,519)(H,520,521)(H,522,523)(H,524,525)(H,526,527)(H,528,529)(H,604,605)(H4,394,395,409)(H4,396,397,410)(H4,398,399,411)(H4,400,401,412)(H4,402,403,413)(H4,404,405,414)(H4,406,407,415)/t191-,192-,193-,194-,195-,196-,197-,198+,199+,200+,201+,202+,203+,213-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-,240-,241-,242-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-,261-,262-,263-,264-,265-,266-,267-,268-,269-,270-,271-,286-,287-,288-,289-,290-,291-,292-,293-,294-,295-,296-,297-,298-/m0/s1
InChIKeyNYPINZKRQZJTQO-LFDOIVJOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
mirostipen (CHEBI:751627) is a polypeptide (CHEBI:15841)
INNs  Source
mirostipenWHO MedNet
mirostipenoWHO MedNet