C34-lai/89.6

Structural Information

Molecular Formula

C₁₈₈H₂₉₃N₅₁O₆₁S

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=CN=CN2)C(=O)N[C@@H](CO)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](CC(=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/C188H293N51O61S/c1-19-93(13)150(236-167(280)119(52-61-148(263)264)215-156(269)110(39-31-66-202-188(199)200)210-178(291)133(80-149(265)266)230-173(286)128(75-100-82-204-106-35-24-22-33-104(100)106)227-165(278)118(51-60-147(261)262)214-166(279)120(62-67-301-18)219-172(285)127(206-97(17)245)74-99-81-203-105-34-23-21-32-103(99)105)185(298)232-132(79-142(197)252)177(290)229-131(78-141(196)251)176(289)226-126(73-98-40-42-102(246)43-41-98)180(293)239-153(96(16)244)187(300)235-136(86-242)183(296)225-125(72-92(11)12)179(292)237-151(94(14)20-2)184(297)231-129(76-101-83-201-87-205-101)174(287)234-135(85-241)182(295)224-124(71-91(9)10)171(284)223-122(69-89(5)6)169(282)216-115(48-57-144(255)256)162(275)209-109(38-27-30-65-191)158(271)233-134(84-240)181(294)218-113(46-55-139(194)249)168(281)238-152(95(15)243)186(299)220-112(45-54-138(193)248)160(273)211-111(44-53-137(192)247)159(272)213-114(47-56-143(253)254)161(274)208-108(37-26-29-64-190)157(270)228-130(77-140(195)250)175(288)217-116(49-58-145(257)258)163(276)207-107(36-25-28-63-189)155(268)212-117(50-59-146(259)260)164(277)222-123(70-90(7)8)170(283)221-121(154(198)267)68-88(3)4/h21-24,32-35,40-43,81-83,87-96,107-136,150-153,203-204,240-244,246H,19-20,25-31,36-39,44-80,84-86,189-191H2,1-18H3,(H2,192,247)(H2,193,248)(H2,194,249)(H2,195,250)(H2,196,251)(H2,197,252)(H2,198,267)(H,201,205)(H,206,245)(H,207,276)(H,208,274)(H,209,275)(H,210,291)(H,211,273)(H,212,268)(H,213,272)(H,214,279)(H,215,269)(H,216,282)(H,217,288)(H,218,294)(H,219,285)(H,220,299)(H,221,283)(H,222,277)(H,223,284)(H,224,295)(H,225,296)(H,226,289)(H,227,278)(H,228,270)(H,229,290)(H,230,286)(H,231,297)(H,232,298)(H,233,271)(H,234,287)(H,235,300)(H,236,280)(H,237,292)(H,238,281)(H,239,293)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,199,200,202)/t93-,94-,95+,96+,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-,136-,150-,151-,152-,153-/m0/s1

InChIKey

SZBHIBACYQWHQF-RQDUAQJASA-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]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]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]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]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 16133683