Nh2-cys(x1)-asp-cys-asp-asp-lys-phe-tyr-asp-cys-leu-lys-asn-ser-ala-asp-thr-ile-ser-ser-tyr-phe-val-gly-lys-met-tyr-phe-asn-leu-ile-asp-thr-lys-cys(x1)-tyr-lys-leu-glu-oh

Structural Information

Molecular Formula

C₂₀₄H₃₀₂N₄₆O₆₅S₅

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[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](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](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](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](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](C(=O)N1)CC(C)C)CC(=O)N)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)CCSC)CCCCN)C(C)C)CC4=CC=CC=C4)CC5=CC=C(C=C5)O)CO)CO)[C@@H](C)CC)[C@@H](C)O)CC(=O)O)C)CO)CC(=O)N)CCCCN)CC(C)C)CS)CC(=O)O)CC6=CC=C(C=C6)O)CC7=CC=CC=C7)CCCCN)CC(=O)O)CC(=O)O)CS)CC(=O)O)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCN)[C@@H](C)O)CC(=O)O

InChI

InChI=1S/C204H302N46O65S5/c1-17-104(11)163-200(310)239-145(91-161(275)276)192(302)249-165(107(14)254)202(312)220-125(48-32-37-72-209)173(283)245-151(198(308)233-133(80-112-49-57-116(256)58-50-112)177(287)217-122(45-29-34-69-206)170(280)224-129(75-101(5)6)176(286)221-127(204(314)315)65-66-155(263)264)99-320-319-98-120(210)168(278)223-140(86-156(265)266)187(297)243-150(97-317)197(307)238-142(88-158(269)270)186(296)237-141(87-157(267)268)185(295)218-123(46-30-35-70-207)171(281)227-131(77-109-38-22-19-23-39-109)178(288)230-135(82-114-53-61-118(258)62-54-114)182(292)236-143(89-159(271)272)188(298)244-149(96-316)196(306)226-128(74-100(3)4)175(285)216-124(47-31-36-71-208)172(282)234-139(85-153(212)261)184(294)240-146(93-251)193(303)214-106(13)167(277)222-144(90-160(273)274)191(301)250-166(108(15)255)203(313)248-164(105(12)18-2)201(311)242-148(95-253)195(305)241-147(94-252)194(304)232-136(83-115-55-63-119(259)64-56-115)180(290)231-137(79-111-42-26-21-27-43-111)190(300)246-162(103(9)10)199(309)213-92-154(262)215-121(44-28-33-68-205)169(279)219-126(67-73-318-16)174(284)228-134(81-113-51-59-117(257)60-52-113)179(289)229-132(78-110-40-24-20-25-41-110)181(291)235-138(84-152(211)260)183(293)225-130(76-102(7)8)189(299)247-163/h19-27,38-43,49-64,100-108,120-151,162-166,251-259,316-317H,17-18,28-37,44-48,65-99,205-210H2,1-16H3,(H2,211,260)(H2,212,261)(H,213,309)(H,214,303)(H,215,262)(H,216,285)(H,217,287)(H,218,295)(H,219,279)(H,220,312)(H,221,286)(H,222,277)(H,223,278)(H,224,280)(H,225,293)(H,226,306)(H,227,281)(H,228,284)(H,229,289)(H,230,288)(H,231,290)(H,232,304)(H,233,308)(H,234,282)(H,235,291)(H,236,292)(H,237,296)(H,238,307)(H,239,310)(H,240,294)(H,241,305)(H,242,311)(H,243,297)(H,244,298)(H,245,283)(H,246,300)(H,247,299)(H,248,313)(H,249,302)(H,250,301)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,314,315)/t104-,105-,106-,107+,108+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,162-,163-,164-,165-,166-/m0/s1

InChIKey

OQKIUCGPNLNNLQ-RDPRJSKJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,40S,43S,46S,49S,52S,55S,58S,61S,64S,67S,70S,73S,76S,79R,82S,85S,88S,91S,94S,97S,100R,103S,106R)-106-amino-7,34,73,91-tetrakis(4-aminobutyl)-22,70-bis(2-amino-2-oxoethyl)-25,43,88-tribenzyl-16,55-bis[(2S)-butan-2-yl]-13,61,82,94,97,103-hexakis(carboxymethyl)-10,58-bis[(1R)-1-hydroxyethyl]-49,52,67-tris(hydroxymethyl)-28,46,85-tris[(4-hydroxyphenyl)methyl]-64-methyl-19,76-bis(2-methylpropyl)-31-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99,102,105-tetratriacontaoxo-40-propan-2-yl-79,100-bis(sulfanylmethyl)-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98,101,104-tetratriacontazacycloheptahectane-4-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130692