Noraramtide

Structural Information

Molecular Formula

C₂₁₀H₃₀₀N₄₈O₆₅S₃

SMILES

CCCCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)C)C(=O)NCCOCCOCCOCCOCCOCCOCCN2C3=C(CC[C@H]4[C@H]([C@H]4COC(=O)N5CCC(CC5)C(=O)NCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]6CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC6=O)C)CC7=CNC8=CC=CC=C87)CC9=CNC=N9)CC(C)C)CCC(=O)O)CC(C)C)C(C)C)CC1=CNC4=CC=CC=C41)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)CC3)N=N2)CC(=O)O)CCCCC)CC1=CC=C(C=C1)C1=CC=CC=C1)CC(C)C)C(C)C)CC(=O)O)CC1=CN=CN1)CC1=CC=C(C=C1)O

InChI

InChI=1S/C210H300N48O65S3/c1-16-18-21-36-136-186(288)241-149(86-119-41-45-127(260)46-42-119)192(294)243-153(90-126-97-214-109-225-126)196(298)245-154(91-173(275)276)183(285)223-102-169(269)252-176(113(9)10)202(304)247-146(83-111(5)6)190(292)242-148(85-118-39-43-121(44-40-118)120-30-23-20-24-31-120)191(293)236-137(37-22-19-17-2)187(289)246-156(93-175(279)280)198(300)249-157(104-324-107-170(270)226-115(13)179(281)234-138(185(287)235-136)38-29-65-216-209(211)212)184(286)215-66-70-317-72-74-319-76-78-321-80-81-322-79-77-320-75-73-318-71-69-258-160-56-48-131-130(47-49-135(160)255-256-258)132(131)103-323-210(316)257-67-63-122(64-68-257)181(283)221-100-168(268)232-143(206(310)311)52-59-163(263)231-142(205(308)309)51-58-162(262)228-139(54-61-171(271)272)188(290)237-144(207(312)313)53-60-164(264)230-141(204(306)307)50-57-161(261)219-98-165(265)220-99-166(266)233-155(92-174(277)278)197(299)250-158-105-325-326-106-159(201(303)254-178(117(15)259)208(314)315)251-194(296)151(88-124-95-218-134-35-28-26-33-129(124)134)248-203(305)177(114(11)12)253-199(301)147(84-112(7)8)240-189(291)140(55-62-172(273)274)229-167(267)101-222-182(284)145(82-110(3)4)239-195(297)152(89-125-96-213-108-224-125)244-193(295)150(238-180(282)116(14)227-200(158)302)87-123-94-217-133-34-27-25-32-128(123)133/h20,23-28,30-35,39-46,94-97,108-117,122,130-132,136-159,176-178,217-218,259-260H,16-19,21-22,29,36-38,47-93,98-107H2,1-15H3,(H,213,224)(H,214,225)(H,215,286)(H,219,261)(H,220,265)(H,221,283)(H,222,284)(H,223,285)(H,226,270)(H,227,302)(H,228,262)(H,229,267)(H,230,264)(H,231,263)(H,232,268)(H,233,266)(H,234,281)(H,235,287)(H,236,293)(H,237,290)(H,238,282)(H,239,297)(H,240,291)(H,241,288)(H,242,292)(H,243,294)(H,244,295)(H,245,298)(H,246,289)(H,247,304)(H,248,305)(H,249,300)(H,250,299)(H,251,296)(H,252,269)(H,253,301)(H,254,303)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H4,211,212,216)/t115-,116-,117+,130-,131+,132-,136-,137-,138-,139+,140-,141+,142+,143-,144+,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,176-,177-,178-/m0/s1

InChIKey

MPUUPFIIXNZYOV-MIGWSOMKSA-N

Compound name

(2R)-2-[[(4R)-4-[[(2R)-2-[[(4R)-4-[[(4S)-4-[[2-[[1-[[(4R,5R,6S)-12-[2-[2-[2-[2-[2-[2-[2-[[(3R,6S,9S,12S,15S,18S,24S,27S,30S,33S,36S,39S)-36-(3-carbamimidamidopropyl)-6,24-bis(carboxymethyl)-30-[(4-hydroxyphenyl)methyl]-27-(1H-imidazol-5-ylmethyl)-39-methyl-15-(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecaoxo-9,33-dipentyl-12-[(4-phenylphenyl)methyl]-18-propan-2-yl-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40-tridecazacyclodotetracontane-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methoxycarbonyl]piperidine-4-carbonyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[2-[[2-[[(2S)-3-carboxy-1-[[(4R,7S,10S,13S,16S,22S,25S,28S,31S,34R)-16-(2-carboxyethyl)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]-25-(1H-imidazol-4-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 169490740