T-267227

Structural Information

Molecular Formula

C₁₉₇H₃₁₃N₅₇O₆₁

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](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(C)C)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/C197H313N57O61/c1-28-93(12)151(251-166(288)105(24)224-167(289)118(46-37-75-211-194(203)204)232-187(309)139(86-150(276)277)249-186(308)137(84-110-87-215-115-43-33-31-41-113(110)115)246-165(287)103(22)222-170(292)126(58-68-144(264)265)240-185(307)138(85-111-88-216-116-44-34-32-42-114(111)116)250-192(314)155(107(26)256)254-193(315)154(106(25)255)227-108(27)257)189(311)226-104(23)162(284)230-128(60-70-146(268)269)180(302)248-136(83-109-50-52-112(258)53-51-109)182(304)225-98(17)159(281)217-99(18)160(282)228-121(49-40-78-214-197(209)210)181(303)252-152(94(13)29-2)191(313)242-127(59-69-145(266)267)171(293)223-102(21)164(286)245-135(82-92(10)11)188(310)253-153(95(14)30-3)190(312)241-119(47-38-76-212-195(205)206)168(290)220-96(15)157(279)218-100(19)161(283)229-122(54-64-140(199)259)174(296)237-130(62-72-148(272)273)178(300)235-123(55-65-141(200)260)175(297)234-124(56-66-142(201)261)176(298)238-129(61-71-147(270)271)177(299)231-117(45-35-36-74-198)173(295)247-134(81-91(8)9)184(306)239-125(57-67-143(262)263)169(291)221-97(16)158(280)219-101(20)163(285)244-133(80-90(6)7)183(305)233-120(48-39-77-213-196(207)208)172(294)236-131(63-73-149(274)275)179(301)243-132(156(202)278)79-89(4)5/h31-34,41-44,50-53,87-107,117-139,151-155,215-216,255-256,258H,28-30,35-40,45-49,54-86,198H2,1-27H3,(H2,199,259)(H2,200,260)(H2,201,261)(H2,202,278)(H,217,281)(H,218,279)(H,219,280)(H,220,290)(H,221,291)(H,222,292)(H,223,293)(H,224,289)(H,225,304)(H,226,311)(H,227,257)(H,228,282)(H,229,283)(H,230,284)(H,231,299)(H,232,309)(H,233,305)(H,234,297)(H,235,300)(H,236,294)(H,237,296)(H,238,298)(H,239,306)(H,240,307)(H,241,312)(H,242,313)(H,243,301)(H,244,285)(H,245,286)(H,246,287)(H,247,295)(H,248,302)(H,249,308)(H,250,314)(H,251,288)(H,252,303)(H,253,310)(H,254,315)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H4,203,204,211)(H4,205,206,212)(H4,207,208,213)(H4,209,210,214)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,151-,152-,153-,154-,155-/m0/s1

InChIKey

LUAGCRNGHMKDIV-YYKCAWRKSA-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)-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]-4-methyl-1-oxopentan-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]-1-oxopropan-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 49768011