T20-89.6

Structural Information

Molecular Formula

C₂₁₄H₃₁₁N₄₉O₆₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)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](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)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](CCCCN)C(=O)N[C@@H](CCC(=O)O)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[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C

InChI

InChI=1S/C214H311N49O65/c1-19-110(14)176(261-209(323)152(90-118-53-59-124(271)60-54-118)249-207(321)160(98-175(291)292)258-214(328)178(113(17)267)263-208(322)150(229-114(18)268)88-116-49-55-122(269)56-50-116)212(326)257-151(89-117-51-57-123(270)58-52-117)200(314)256-159(97-174(289)290)206(320)247-148(85-108(10)11)197(311)246-144(81-104(2)3)194(308)237-139(65-73-169(279)280)188(302)232-134(48-32-36-80-218)184(298)260-162(103-265)210(324)240-137(63-71-165(221)274)192(306)262-177(112(16)266)213(327)241-136(62-70-164(220)273)186(300)234-135(61-69-163(219)272)185(299)236-138(64-72-168(277)278)187(301)231-132(46-30-34-78-216)183(297)253-156(94-166(222)275)203(317)239-140(66-74-170(281)282)189(303)230-131(45-29-33-77-215)181(295)235-141(67-75-171(283)284)190(304)243-146(83-106(6)7)196(310)245-145(82-105(4)5)195(309)238-142(68-76-172(285)286)191(305)244-147(84-107(8)9)199(313)255-158(96-173(287)288)205(319)233-133(47-31-35-79-217)182(296)250-153(91-119-99-225-128-42-26-23-39-125(119)128)193(307)228-111(15)180(294)259-161(102-264)211(325)248-149(86-109(12)13)198(312)251-155(93-121-101-227-130-44-28-25-41-127(121)130)202(316)254-157(95-167(223)276)204(318)252-154(92-120-100-226-129-43-27-24-40-126(120)129)201(315)242-143(179(224)293)87-115-37-21-20-22-38-115/h20-28,37-44,49-60,99-101,104-113,131-162,176-178,225-227,264-267,269-271H,19,29-36,45-48,61-98,102-103,215-218H2,1-18H3,(H2,219,272)(H2,220,273)(H2,221,274)(H2,222,275)(H2,223,276)(H2,224,293)(H,228,307)(H,229,268)(H,230,303)(H,231,301)(H,232,302)(H,233,319)(H,234,300)(H,235,295)(H,236,299)(H,237,308)(H,238,309)(H,239,317)(H,240,324)(H,241,327)(H,242,315)(H,243,304)(H,244,305)(H,245,310)(H,246,311)(H,247,320)(H,248,325)(H,249,321)(H,250,296)(H,251,312)(H,252,318)(H,253,297)(H,254,316)(H,255,313)(H,256,314)(H,257,326)(H,258,328)(H,259,294)(H,260,298)(H,261,323)(H,262,306)(H,263,322)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)/t110-,111-,112+,113+,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,176-,177-,178-/m0/s1

InChIKey

YZCNXTLSLUVNOF-YOMNLBSUSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]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]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-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 16133685