V5-k42

Structural Information

Molecular Formula

C₁₉₂H₃₀₇N₅₃O₅₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CN=CN4)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C192H307N53O56/c1-22-100(15)150(239-173(283)128(80-110-56-60-113(255)61-57-110)230-186(296)152(103(18)250)240-156(266)102(17)212-142(259)86-208-157(267)114(46-30-34-66-193)218-184(294)153(104(19)251)242-177(287)136(92-249)233-168(278)126(78-108-44-28-25-29-45-108)226-176(286)135(91-248)235-180(290)147(200)97(9)10)183(293)243-155(106(21)253)187(297)229-127(79-109-54-58-112(254)59-55-109)172(282)238-149(99(13)14)182(292)231-132(84-141(199)258)171(281)225-125(77-107-42-26-24-27-43-107)167(277)223-124(76-96(7)8)166(276)228-131(83-140(198)257)170(280)216-119(63-65-146(264)265)161(271)222-122(74-94(3)4)164(274)215-117(51-39-71-207-192(203)204)162(272)237-148(98(11)12)181(291)219-115(47-31-35-67-194)163(273)241-154(105(20)252)185(295)220-120(48-32-36-68-195)188(298)244-72-40-52-137(244)178(288)217-118(62-64-145(262)263)158(268)209-87-143(260)213-130(82-139(197)256)169(279)232-133(89-246)174(284)227-129(81-111-85-205-93-211-111)159(269)210-88-144(261)236-151(101(16)23-2)189(299)245-73-41-53-138(245)179(289)234-134(90-247)175(285)224-123(75-95(5)6)165(275)214-116(50-38-70-206-191(201)202)160(270)221-121(190(300)301)49-33-37-69-196/h24-29,42-45,54-61,85,93-106,114-138,147-155,246-255H,22-23,30-41,46-53,62-84,86-92,193-196,200H2,1-21H3,(H2,197,256)(H2,198,257)(H2,199,258)(H,205,211)(H,208,267)(H,209,268)(H,210,269)(H,212,259)(H,213,260)(H,214,275)(H,215,274)(H,216,280)(H,217,288)(H,218,294)(H,219,291)(H,220,295)(H,221,270)(H,222,271)(H,223,277)(H,224,285)(H,225,281)(H,226,286)(H,227,284)(H,228,276)(H,229,297)(H,230,296)(H,231,292)(H,232,279)(H,233,278)(H,234,289)(H,235,290)(H,236,261)(H,237,272)(H,238,282)(H,239,283)(H,240,266)(H,241,273)(H,242,287)(H,243,293)(H,262,263)(H,264,265)(H,300,301)(H4,201,202,206)(H4,203,204,207)/t100-,101-,102-,103+,104+,105+,106+,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-,147-,148-,149-,150-,151-,152-,153-,154-,155-/m0/s1

InChIKey

MPMNEABVJHDQQR-GQZVRSJVSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16130218