T-290822

Structural Information

Molecular Formula

C₁₉₉H₃₁₇N₅₇O₆₁

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)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/C199H317N57O61/c1-29-95(14)153(253-167(289)106(25)225-168(290)119(47-38-74-213-196(205)206)232-189(311)141(87-152(278)279)251-187(309)138(84-111-88-217-116-44-34-32-42-114(111)116)247-166(288)104(23)223-171(293)125(57-66-145(264)265)239-186(308)139(85-112-89-218-117-45-35-33-43-115(112)117)252-194(316)157(108(27)258)256-195(317)156(107(26)257)228-109(28)259)191(313)227-105(24)162(284)230-128(60-69-148(270)271)179(301)249-137(83-110-51-53-113(260)54-52-110)182(304)226-99(18)160(282)219-100(19)161(283)229-122(50-41-77-216-199(211)212)181(303)254-154(96(15)30-2)193(315)242-127(59-68-147(268)269)172(294)224-103(22)165(287)246-136(82-94(12)13)190(312)255-155(97(16)31-3)192(314)241-120(48-39-75-214-197(207)208)169(291)222-102(21)164(286)245-134(80-92(8)9)184(306)237-123(55-64-142(201)261)176(298)236-131(63-72-151(276)277)180(302)248-135(81-93(10)11)185(307)238-124(56-65-143(202)262)175(297)235-129(61-70-149(272)273)177(299)231-118(46-36-37-73-200)174(296)250-140(86-144(203)263)188(310)240-126(58-67-146(266)267)170(292)221-98(17)159(281)220-101(20)163(285)244-133(79-91(6)7)183(305)233-121(49-40-76-215-198(209)210)173(295)234-130(62-71-150(274)275)178(300)243-132(158(204)280)78-90(4)5/h32-35,42-45,51-54,88-108,118-141,153-157,217-218,257-258,260H,29-31,36-41,46-50,55-87,200H2,1-28H3,(H2,201,261)(H2,202,262)(H2,203,263)(H2,204,280)(H,219,282)(H,220,281)(H,221,292)(H,222,291)(H,223,293)(H,224,294)(H,225,290)(H,226,304)(H,227,313)(H,228,259)(H,229,283)(H,230,284)(H,231,299)(H,232,311)(H,233,305)(H,234,295)(H,235,297)(H,236,298)(H,237,306)(H,238,307)(H,239,308)(H,240,310)(H,241,314)(H,242,315)(H,243,300)(H,244,285)(H,245,286)(H,246,287)(H,247,288)(H,248,302)(H,249,301)(H,250,296)(H,251,309)(H,252,316)(H,253,289)(H,254,303)(H,255,312)(H,256,317)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H4,205,206,213)(H4,207,208,214)(H4,209,210,215)(H4,211,212,216)/t95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107+,108+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,153-,154-,155-,156-,157-/m0/s1

InChIKey

MVQJEEDMCIORDA-OYFIZONTSA-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)-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]-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 49768013