C34-89.6

Structural Information

Molecular Formula

C₁₉₇H₂₉₄N₄₈O₆₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)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](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=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](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)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](CCCCN)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)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)C

InChI

InChI=1S/C197H294N48O66S/c1-17-97(11)159(242-177(292)127(59-69-155(270)271)221-165(280)117(37-29-74-209-197(207)208)216-173(288)123(55-65-151(262)263)223-184(299)137(84-106-91-211-113-33-22-20-31-111(106)113)234-175(290)126(58-68-154(268)269)220-176(291)128(70-75-312-16)226-183(298)136(212-101(15)249)83-105-90-210-112-32-21-19-30-110(105)112)194(309)239-141(88-157(274)275)189(304)236-139(86-148(205)257)186(301)232-135(82-104-42-48-109(252)49-43-104)191(306)245-162(100(14)248)196(311)240-142(89-158(276)277)188(303)233-134(81-103-40-46-108(251)47-41-103)190(305)243-160(98(12)18-2)193(308)238-133(80-102-38-44-107(250)45-39-102)182(297)237-140(87-156(272)273)187(302)231-132(79-96(9)10)181(296)230-130(77-94(5)6)179(294)222-122(54-64-150(260)261)171(286)215-116(36-25-28-73-200)167(282)241-143(92-246)192(307)225-120(52-62-146(203)255)178(293)244-161(99(13)247)195(310)227-119(51-61-145(202)254)169(284)217-118(50-60-144(201)253)168(283)219-121(53-63-149(258)259)170(285)214-115(35-24-27-72-199)166(281)235-138(85-147(204)256)185(300)224-124(56-66-152(264)265)172(287)213-114(34-23-26-71-198)164(279)218-125(57-67-153(266)267)174(289)229-131(78-95(7)8)180(295)228-129(163(206)278)76-93(3)4/h19-22,30-33,38-49,90-91,93-100,114-143,159-162,210-211,246-248,250-252H,17-18,23-29,34-37,50-89,92,198-200H2,1-16H3,(H2,201,253)(H2,202,254)(H2,203,255)(H2,204,256)(H2,205,257)(H2,206,278)(H,212,249)(H,213,287)(H,214,285)(H,215,286)(H,216,288)(H,217,284)(H,218,279)(H,219,283)(H,220,291)(H,221,280)(H,222,294)(H,223,299)(H,224,300)(H,225,307)(H,226,298)(H,227,310)(H,228,295)(H,229,289)(H,230,296)(H,231,302)(H,232,301)(H,233,303)(H,234,290)(H,235,281)(H,236,304)(H,237,297)(H,238,308)(H,239,309)(H,240,311)(H,241,282)(H,242,292)(H,243,305)(H,244,293)(H,245,306)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H4,207,208,209)/t97-,98-,99+,100+,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-,140-,141-,142-,143-,159-,160-,161-,162-/m0/s1

InChIKey

BDWYTUVVLMYWSN-XFPACSNVSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133681