T-267221

Structural Information

Molecular Formula

C₁₉₈H₃₁₄N₅₈O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=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)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](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C198H314N58O62/c1-27-93(12)152(253-166(290)104(23)225-167(291)117(45-36-74-213-195(205)206)232-188(312)139(86-151(279)280)251-186(310)136(83-109-87-217-114-42-32-30-40-112(109)114)248-165(289)102(21)223-170(294)124(56-66-144(265)266)240-185(309)137(84-110-88-218-115-43-33-31-41-113(110)115)252-193(317)156(106(25)258)256-194(318)155(105(24)257)228-107(26)259)190(314)227-103(22)161(285)230-127(59-69-147(271)272)180(304)249-135(82-108-49-51-111(260)52-50-108)182(306)226-97(16)159(283)219-98(17)160(284)229-120(48-39-77-216-198(211)212)181(305)254-153(94(13)28-2)192(316)243-126(58-68-146(269)270)171(295)224-101(20)164(288)247-134(81-92(10)11)189(313)255-154(95(14)29-3)191(315)242-118(46-37-75-214-196(207)208)168(292)222-100(19)163(287)246-133(80-91(8)9)184(308)239-123(55-65-142(202)263)176(300)238-129(61-71-149(275)276)178(302)235-121(53-63-140(200)261)174(298)234-122(54-64-141(201)262)175(299)237-128(60-70-148(273)274)177(301)231-116(44-34-35-73-199)173(297)250-138(85-143(203)264)187(311)241-125(57-67-145(267)268)169(293)221-96(15)158(282)220-99(18)162(286)245-132(79-90(6)7)183(307)233-119(47-38-76-215-197(209)210)172(296)236-130(62-72-150(277)278)179(303)244-131(157(204)281)78-89(4)5/h30-33,40-43,49-52,87-106,116-139,152-156,217-218,257-258,260H,27-29,34-39,44-48,53-86,199H2,1-26H3,(H2,200,261)(H2,201,262)(H2,202,263)(H2,203,264)(H2,204,281)(H,219,283)(H,220,282)(H,221,293)(H,222,292)(H,223,294)(H,224,295)(H,225,291)(H,226,306)(H,227,314)(H,228,259)(H,229,284)(H,230,285)(H,231,301)(H,232,312)(H,233,307)(H,234,298)(H,235,302)(H,236,296)(H,237,299)(H,238,300)(H,239,308)(H,240,309)(H,241,311)(H,242,315)(H,243,316)(H,244,303)(H,245,286)(H,246,287)(H,247,288)(H,248,289)(H,249,304)(H,250,297)(H,251,310)(H,252,317)(H,253,290)(H,254,305)(H,255,313)(H,256,318)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)(H4,211,212,216)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,106+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,152-,153-,154-,155-,156-/m0/s1

InChIKey

NLCJICGSNNIGMY-RRYKJADFSA-N

Compound name

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

Related CIDs

• CID 49768008