T-2429

Structural Information

Molecular Formula

C₂₀₇H₃₂₂N₆₀O₇₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)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](CCC(=O)O)C(=O)N[C@@H](CO)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(=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)O)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](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)O)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](CCC(=O)O)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/C207H322N60O76/c1-17-95(10)160(263-185(325)114(38-29-77-227-207(222)223)234-196(336)141(91-270)262-202(342)164(99(14)272)266-194(334)133(81-102-39-41-105(275)42-40-102)254-181(321)126(54-69-155(296)297)247-191(331)137(85-147(214)281)259-200(340)162(97(12)19-3)264-186(326)129(57-72-158(302)303)244-168(308)112(36-27-75-225-205(218)219)233-192(332)138(86-159(304)305)257-189(329)134(82-103-87-228-108-32-22-20-30-106(103)108)255-182(322)125(53-68-154(294)295)243-178(318)121(49-64-150(286)287)245-188(328)135(83-104-88-229-109-33-23-21-31-107(104)109)258-201(341)165(100(15)273)267-203(343)163(98(13)271)230-101(16)274)199(339)250-128(56-71-157(300)301)184(324)261-140(90-269)197(337)253-132(80-94(8)9)193(333)265-161(96(11)18-2)198(338)249-113(37-28-76-226-206(220)221)169(309)239-127(55-70-156(298)299)183(323)260-139(89-268)195(335)248-118(46-61-145(212)279)174(314)241-120(48-63-149(284)285)176(316)236-115(43-58-142(209)276)171(311)235-116(44-59-143(210)277)172(312)240-119(47-62-148(282)283)175(315)231-110(34-24-25-73-208)170(310)256-136(84-146(213)280)190(330)246-122(50-65-151(288)289)177(317)237-117(45-60-144(211)278)173(313)242-124(52-67-153(292)293)180(320)252-131(79-93(6)7)187(327)232-111(35-26-74-224-204(216)217)167(307)238-123(51-66-152(290)291)179(319)251-130(166(215)306)78-92(4)5/h20-23,30-33,39-42,87-88,92-100,110-141,160-165,228-229,268-273,275H,17-19,24-29,34-38,43-86,89-91,208H2,1-16H3,(H2,209,276)(H2,210,277)(H2,211,278)(H2,212,279)(H2,213,280)(H2,214,281)(H2,215,306)(H,230,274)(H,231,315)(H,232,327)(H,233,332)(H,234,336)(H,235,311)(H,236,316)(H,237,317)(H,238,307)(H,239,309)(H,240,312)(H,241,314)(H,242,313)(H,243,318)(H,244,308)(H,245,328)(H,246,330)(H,247,331)(H,248,335)(H,249,338)(H,250,339)(H,251,319)(H,252,320)(H,253,337)(H,254,321)(H,255,322)(H,256,310)(H,257,329)(H,258,341)(H,259,340)(H,260,323)(H,261,324)(H,262,342)(H,263,325)(H,264,326)(H,265,333)(H,266,334)(H,267,343)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H4,216,217,224)(H4,218,219,225)(H4,220,221,226)(H4,222,223,227)/t95-,96-,97-,98+,99+,100+,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,160-,161-,162-,163-,164-,165-/m0/s1

InChIKey

YRZQXFACOIAYRV-YTHHTQJGSA-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,3R)-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,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-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]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-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 49768002