T-2544

Structural Information

Molecular Formula

C₁₉₆H₃₁₀N₅₈O₆₁S

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(=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](CCSC)NC(=O)C

InChI

InChI=1S/C196H310N58O61S/c1-26-92(10)151(251-165(288)104(22)224-166(289)116(44-35-74-211-193(203)204)232-187(310)138(86-150(276)277)249-185(308)135(83-108-87-215-113-41-31-29-39-111(108)113)246-164(287)102(20)222-169(292)123(55-65-143(262)263)239-184(307)136(84-109-88-216-114-42-32-30-40-112(109)114)250-192(315)154(105(23)255)254-181(304)130(72-78-316-25)227-106(24)256)189(312)226-103(21)161(284)230-126(58-68-146(268)269)179(302)247-134(82-107-48-50-110(257)51-49-107)182(305)225-97(15)158(281)217-98(16)159(282)228-119(47-38-77-214-196(209)210)180(303)252-152(93(11)27-2)191(314)242-125(57-67-145(266)267)170(293)223-101(19)163(286)245-133(81-91(8)9)188(311)253-153(94(12)28-3)190(313)241-117(45-36-75-212-194(205)206)167(290)220-95(13)156(279)218-99(17)160(283)229-120(52-62-139(198)258)173(296)237-128(60-70-148(272)273)177(300)235-121(53-63-140(199)259)174(297)234-122(54-64-141(200)260)175(298)238-127(59-69-147(270)271)176(299)231-115(43-33-34-73-197)172(295)248-137(85-142(201)261)186(309)240-124(56-66-144(264)265)168(291)221-96(14)157(280)219-100(18)162(285)244-132(80-90(6)7)183(306)233-118(46-37-76-213-195(207)208)171(294)236-129(61-71-149(274)275)178(301)243-131(155(202)278)79-89(4)5/h29-32,39-42,48-51,87-105,115-138,151-154,215-216,255,257H,26-28,33-38,43-47,52-86,197H2,1-25H3,(H2,198,258)(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,225,305)(H,226,312)(H,227,256)(H,228,282)(H,229,283)(H,230,284)(H,231,299)(H,232,310)(H,233,306)(H,234,297)(H,235,300)(H,236,294)(H,237,296)(H,238,298)(H,239,307)(H,240,309)(H,241,313)(H,242,314)(H,243,301)(H,244,285)(H,245,286)(H,246,287)(H,247,302)(H,248,295)(H,249,308)(H,250,315)(H,251,288)(H,252,303)(H,253,311)(H,254,304)(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)/t92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,151-,152-,153-,154-/m0/s1

InChIKey

AQFYXFGKSAZNRX-MMYHQSEYSA-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)-2-acetamido-4-methylsulfanylbutanoyl]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]-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 49768006