T-2638

Structural Information

Molecular Formula

C₁₉₄H₃₀₃N₅₃O₅₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)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)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](CC2=CN=CN2)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](CCC(=O)O)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](CC(=O)N)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](CC(C)C)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](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)C

InChI

InChI=1S/C194H303N53O57S2/c1-31-93(14)152(244-166(277)105(26)216-167(278)118(46-40-68-206-194(203)204)223-187(298)140(83-151(265)266)241-183(294)134(77-109-84-207-115-43-36-34-41-113(109)115)235-164(275)102(23)215-170(281)127(66-70-306-30)229-182(293)135(78-110-85-208-116-44-37-35-42-114(110)116)242-193(304)155(106(27)248)247-177(288)126(65-69-305-29)220-107(28)249)190(301)219-104(25)165(276)236-137(80-144(199)254)186(297)238-133(76-108-47-49-112(250)50-48-108)178(289)217-98(19)159(270)212-101(22)162(273)233-131(74-91(10)11)189(300)246-154(95(16)33-3)192(303)243-136(79-111-86-205-87-209-111)179(290)218-103(24)163(274)234-132(75-92(12)13)188(299)245-153(94(15)32-2)191(302)230-123(55-62-148(259)260)169(280)214-97(18)157(268)210-99(20)160(271)221-119(51-58-141(196)251)176(287)240-139(82-146(201)256)184(295)226-121(53-60-143(198)253)173(284)224-120(52-59-142(197)252)172(283)225-124(56-63-149(261)262)174(285)222-117(45-38-39-67-195)171(282)239-138(81-145(200)255)185(296)227-122(54-61-147(257)258)168(279)213-96(17)158(269)211-100(21)161(272)232-129(72-89(6)7)181(292)237-130(73-90(8)9)180(291)228-125(57-64-150(263)264)175(286)231-128(156(202)267)71-88(4)5/h34-37,41-44,47-50,84-106,117-140,152-155,207-208,248,250H,31-33,38-40,45-46,51-83,195H2,1-30H3,(H2,196,251)(H2,197,252)(H2,198,253)(H2,199,254)(H2,200,255)(H2,201,256)(H2,202,267)(H,205,209)(H,210,268)(H,211,269)(H,212,270)(H,213,279)(H,214,280)(H,215,281)(H,216,278)(H,217,289)(H,218,290)(H,219,301)(H,220,249)(H,221,271)(H,222,285)(H,223,298)(H,224,284)(H,225,283)(H,226,295)(H,227,296)(H,228,291)(H,229,293)(H,230,302)(H,231,286)(H,232,272)(H,233,273)(H,234,274)(H,235,275)(H,236,276)(H,237,292)(H,238,297)(H,239,282)(H,240,287)(H,241,294)(H,242,304)(H,243,303)(H,244,277)(H,245,299)(H,246,300)(H,247,288)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H4,203,204,206)/t93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,152-,153-,154-,155-/m0/s1

InChIKey

QGCVAHFCYWWOKI-RMKABUHXSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(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-methylsulfanylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(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]-4-methyl-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]-5-oxopentanoic acid

Related CIDs

• CID 49768003