T-290821

Structural Information

Molecular Formula

C₂₀₂H₃₂₃N₅₇O₆₁

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](CC(C)C)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@@H](C)CC)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/C202H323N57O61/c1-30-97(15)155(255-168(290)107(25)226-170(292)121(49-40-76-216-199(208)209)234-191(313)143(89-154(281)282)252-189(311)140(86-113-90-220-118-46-36-34-44-116(113)118)248-167(289)105(23)224-172(294)127(59-68-147(267)268)241-188(310)141(87-114-91-221-119-47-37-35-45-117(114)119)254-197(319)160(110(28)261)259-198(320)159(109(27)260)230-111(29)262)193(315)229-106(24)164(286)232-130(62-71-150(273)274)181(303)250-139(85-112-53-55-115(263)56-54-112)184(306)228-101(19)162(284)222-102(20)163(285)231-124(52-43-79-219-202(214)215)183(305)257-157(99(17)32-3)195(317)244-129(61-70-149(271)272)174(296)225-104(22)166(288)247-138(84-96(13)14)192(314)258-158(100(18)33-4)194(316)243-122(50-41-77-217-200(210)211)171(293)223-103(21)165(287)246-135(81-93(7)8)185(307)239-125(57-66-144(204)264)178(300)238-133(65-74-153(279)280)182(304)249-136(82-94(9)10)186(308)240-126(58-67-145(205)265)177(299)237-131(63-72-151(275)276)179(301)233-120(48-38-39-75-203)176(298)251-142(88-146(206)266)190(312)242-128(60-69-148(269)270)173(295)227-108(26)169(291)256-156(98(16)31-2)196(318)253-137(83-95(11)12)187(309)235-123(51-42-78-218-201(212)213)175(297)236-132(64-73-152(277)278)180(302)245-134(161(207)283)80-92(5)6/h34-37,44-47,53-56,90-110,120-143,155-160,220-221,260-261,263H,30-33,38-43,48-52,57-89,203H2,1-29H3,(H2,204,264)(H2,205,265)(H2,206,266)(H2,207,283)(H,222,284)(H,223,293)(H,224,294)(H,225,296)(H,226,292)(H,227,295)(H,228,306)(H,229,315)(H,230,262)(H,231,285)(H,232,286)(H,233,301)(H,234,313)(H,235,309)(H,236,297)(H,237,299)(H,238,300)(H,239,307)(H,240,308)(H,241,310)(H,242,312)(H,243,316)(H,244,317)(H,245,302)(H,246,287)(H,247,288)(H,248,289)(H,249,304)(H,250,303)(H,251,298)(H,252,311)(H,253,318)(H,254,319)(H,255,290)(H,256,291)(H,257,305)(H,258,314)(H,259,320)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H4,208,209,216)(H4,210,211,217)(H4,212,213,218)(H4,214,215,219)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109+,110+,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,155-,156-,157-,158-,159-,160-/m0/s1

InChIKey

RBXVUSALNMIMDR-GADHWMJKSA-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)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-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]-3-methyl-1-oxopentan-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]-4-methyl-1-oxopentan-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 49768014