T-291022

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

InChIKey

NYRUYEYQPZVVQZ-JFNKLINDSA-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]-3-methyl-1-oxobutan-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 49768012