C34-jrfl

Structural Information

Molecular Formula

C₁₉₀H₂₈₄N₄₈O₆₈S

SMILES

CC[C@H](C)[C@@H](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(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)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)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](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)NC(=O)C

InChI

InChI=1S/C190H284N48O68S/c1-17-89(10)151(185(302)221-117(51-64-147(265)266)165(282)212-116(50-63-146(263)264)169(286)232-132(84-239)183(300)218-110(44-57-137(195)249)166(283)227-129(79-139(197)251)176(293)215-109(43-56-136(194)248)161(278)208-107(41-54-134(192)246)159(276)210-111(45-58-141(253)254)162(279)206-105(31-24-25-68-191)158(275)226-128(78-138(196)250)177(294)217-113(47-60-143(257)258)164(281)209-108(42-55-135(193)247)160(277)211-114(48-61-144(259)260)167(284)223-122(72-87(6)7)173(290)222-121(156(199)273)71-86(4)5)236-180(297)123(73-88(8)9)229-188(305)154(92(13)241)237-182(299)125(75-96-35-39-100(245)40-36-96)230-186(303)152(90(11)18-2)234-172(289)119(53-66-149(269)270)219-184(301)133(85-240)233-189(306)155(93(14)242)238-181(298)124(74-95-33-37-99(244)38-34-95)224-178(295)130(80-140(198)252)228-179(296)131(81-150(271)272)231-187(304)153(91(12)19-3)235-171(288)118(52-65-148(267)268)214-157(274)106(32-26-69-202-190(200)201)207-163(280)112(46-59-142(255)256)216-175(292)127(77-98-83-204-104-30-23-21-28-102(98)104)225-168(285)115(49-62-145(261)262)213-170(287)120(67-70-307-16)220-174(291)126(205-94(15)243)76-97-82-203-103-29-22-20-27-101(97)103/h20-23,27-30,33-40,82-83,86-93,105-133,151-155,203-204,239-242,244-245H,17-19,24-26,31-32,41-81,84-85,191H2,1-16H3,(H2,192,246)(H2,193,247)(H2,194,248)(H2,195,249)(H2,196,250)(H2,197,251)(H2,198,252)(H2,199,273)(H,205,243)(H,206,279)(H,207,280)(H,208,278)(H,209,281)(H,210,276)(H,211,277)(H,212,282)(H,213,287)(H,214,274)(H,215,293)(H,216,292)(H,217,294)(H,218,300)(H,219,301)(H,220,291)(H,221,302)(H,222,290)(H,223,284)(H,224,295)(H,225,285)(H,226,275)(H,227,283)(H,228,296)(H,229,305)(H,230,303)(H,231,304)(H,232,286)(H,233,306)(H,234,289)(H,235,288)(H,236,297)(H,237,299)(H,238,298)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H4,200,201,202)/t89-,90-,91-,92+,93+,105-,106-,107-,108-,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-,151-,152-,153-,154-,155-/m0/s1

InChIKey

KQFHSNQDBYFDJH-YVWKFXRLSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-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-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-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]-1,5-dioxopentan-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 16133679