C34-dh12

Structural Information

Molecular Formula

C₁₉₀H₂₈₇N₄₉O₆₃S

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)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)N)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](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)C

InChI

InChI=1S/C190H287N49O63S/c1-18-92(12)154(188(300)223-119(53-65-152(266)267)167(279)216-118(52-64-151(264)265)171(283)235-135(87-240)186(298)221-113(47-59-140(197)249)169(281)230-131(80-142(199)251)178(290)218-111(45-57-138(195)247)163(275)211-109(43-55-136(193)245)161(273)214-114(48-60-147(256)257)164(276)210-108(34-26-28-69-192)160(272)229-130(79-141(198)250)179(291)220-116(50-62-149(260)261)166(278)212-110(44-56-137(194)246)162(274)215-117(51-63-150(262)263)170(282)225-124(73-90(8)9)174(286)224-122(158(203)270)71-88(4)5)238-184(296)125(74-91(10)11)226-180(292)132(81-143(200)252)231-175(287)126(75-97-35-39-101(243)40-36-97)233-189(301)156(94(14)20-3)237-183(295)123(72-89(6)7)208-146(255)86-206-187(299)157(95(15)241)239-185(297)127(76-98-37-41-102(244)42-38-98)227-181(293)133(82-144(201)253)232-182(294)134(83-145(202)254)234-190(302)155(93(13)19-2)236-173(285)120(54-66-153(268)269)217-159(271)107(33-25-27-68-191)209-165(277)115(49-61-148(258)259)219-177(289)129(78-100-85-205-106-32-24-22-30-104(100)106)228-168(280)112(46-58-139(196)248)213-172(284)121(67-70-303-17)222-176(288)128(207-96(16)242)77-99-84-204-105-31-23-21-29-103(99)105/h21-24,29-32,35-42,84-85,88-95,107-135,154-157,204-205,240-241,243-244H,18-20,25-28,33-34,43-83,86-87,191-192H2,1-17H3,(H2,193,245)(H2,194,246)(H2,195,247)(H2,196,248)(H2,197,249)(H2,198,250)(H2,199,251)(H2,200,252)(H2,201,253)(H2,202,254)(H2,203,270)(H,206,299)(H,207,242)(H,208,255)(H,209,277)(H,210,276)(H,211,275)(H,212,278)(H,213,284)(H,214,273)(H,215,274)(H,216,279)(H,217,271)(H,218,290)(H,219,289)(H,220,291)(H,221,298)(H,222,288)(H,223,300)(H,224,286)(H,225,282)(H,226,292)(H,227,293)(H,228,280)(H,229,272)(H,230,281)(H,231,287)(H,232,294)(H,233,301)(H,234,302)(H,235,283)(H,236,285)(H,237,295)(H,238,296)(H,239,297)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)/t92-,93-,94-,95+,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-,134-,135-,154-,155-,156-,157-/m0/s1

InChIKey

KIGWKOUURBPILA-GDJQMZFMSA-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)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[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]-5-amino-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-amino-4-oxobutanoyl]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 16133680