Twmewareinnytslihslieesqnqqekneqelleld

Structural Information

Molecular Formula

C₁₉₈H₃₀₃N₅₃O₆₉S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C198H303N53O69S/c1-20-94(14)157(193(315)231-121(50-62-154(277)278)170(292)224-120(49-61-153(275)276)175(297)245-137(85-252)190(312)230-114(43-55-143(204)260)171(293)240-133(78-145(206)262)183(305)227-113(42-54-142(203)259)167(289)220-111(40-52-140(201)257)165(287)222-115(44-56-148(265)266)168(290)219-109(34-27-28-65-199)164(286)239-132(77-144(205)261)184(306)229-116(45-57-149(267)268)169(291)221-112(41-53-141(202)258)166(288)223-117(46-58-150(269)270)172(294)232-125(69-90(6)7)180(302)234-124(68-89(4)5)179(301)228-119(48-60-152(273)274)173(295)233-126(70-91(8)9)181(303)244-136(197(319)320)81-156(281)282)249-187(309)127(71-92(10)11)235-191(313)138(86-253)246-182(304)131(76-102-84-211-88-215-102)242-194(316)159(96(16)22-3)250-188(310)128(72-93(12)13)236-192(314)139(87-254)247-196(318)160(98(18)255)251-189(311)129(73-99-36-38-103(256)39-37-99)237-185(307)134(79-146(207)263)241-186(308)135(80-147(208)264)243-195(317)158(95(15)21-2)248-177(299)122(51-63-155(279)280)226-163(285)110(35-29-66-212-198(209)210)217-161(283)97(17)216-178(300)130(75-101-83-214-108-33-26-24-31-105(101)108)238-174(296)118(47-59-151(271)272)225-176(298)123(64-67-321-19)218-162(284)106(200)74-100-82-213-107-32-25-23-30-104(100)107/h23-26,30-33,36-39,82-84,88-98,106,109-139,157-160,213-214,252-256H,20-22,27-29,34-35,40-81,85-87,199-200H2,1-19H3,(H2,201,257)(H2,202,258)(H2,203,259)(H2,204,260)(H2,205,261)(H2,206,262)(H2,207,263)(H2,208,264)(H,211,215)(H,216,300)(H,217,283)(H,218,284)(H,219,290)(H,220,289)(H,221,291)(H,222,287)(H,223,288)(H,224,292)(H,225,298)(H,226,285)(H,227,305)(H,228,301)(H,229,306)(H,230,312)(H,231,315)(H,232,294)(H,233,295)(H,234,302)(H,235,313)(H,236,314)(H,237,307)(H,238,296)(H,239,286)(H,240,293)(H,241,308)(H,242,316)(H,243,317)(H,244,303)(H,245,297)(H,246,304)(H,247,318)(H,248,299)(H,249,309)(H,250,310)(H,251,311)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,319,320)(H4,209,210,212)/t94-,95-,96-,97-,98+,106-,109-,110-,111-,112-,113-,114-,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-,157-,158-,159-,160-/m0/s1

InChIKey

LKLDVJULXKZUBL-WIYFVXPGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid

Related CIDs

• CID 129909020