TB 500

Molecular Formula

C₂₁₂H₃₅₀N₅₆O₇₈S

Molecular Weight

4963.44 g/mol

Monoisotopic Mass

4960.47 Da

Polar Area

2020.0 Ų

Complexity

N/A

XLogP

-45.0

Heavy Atom Count

347

Hydrogen Bond Donor Count

73

Hydrogen Bond Acceptor Count

134

Rotatable Bond Count

145

Physical Appearance

Fine White Lyophilized Powder

Stability

Lyophilized protein is to be stored at -20°C. It is recommended to aliquot the reconstituted (dissolved) protein into several discrete vials in order to avoid repeated freezing and thawing. Reconstituted protein can be stored at 4°C

PubChem LCSS

N/A

CID

16132380

CAS

77591-33-4

InChI

InChI=1S/C212H350N56O78S/c1-11-120(2)167(210(323)259-138(89-146(271)272)194(307)251-131(80-61-114-63-67-116(270)68-64-114)183(296)247-127(76-57-110-59-55-54-56-60-110)179(292)243-125(74-53-52-58-108(213)264)177(290)245-126(75-81-214)178(291)255-136(87-144(269)270)192(305)249-129(78-65-112-37-25-23-26-38-112)181(294)257-137(88-145(270)271)193(306)258-140(91-148(273)274)196(309)261-142(93-150(275)276)198(311)253-134(85-142)190(303)250-130(79-66-113-39-27-24-28-40-113)182(295)248-128(77-62-115-69-70-117(271)71-72-115)180(293)256-139(90-147(272)273)195(308)262-141(92-149(274)275)197(310)254-135(86-143(268)269)191(304)252-132(81-95-215)184(297)244-124(73-51-50-57-107(212)263)176(289)246-123(72-49-48-56-106(211)262)175(288)242-122(71-47-46-55-105(210)261)174(287)241-121(70-45-44-54-104(209)260)173(286)240-119(69-43-42-53-103(208)259)172(285)239-118(68-41-40-52-102(207)258)171(284)238-117(67-39-38-51-101(206)257)170(283)237-116(66-37-36-50-100(205)256)169(282)236-115(65-35-34-49-99(204)255)168(281)235-114(64-33-32-48-98(203)254)167(280)234-113(63-31-30-47-97(202)253)166(279)233-112(62-29-28-46-96(201)252)165(278)232-111(61-27-26-45-95(200)251)164(277)231-110(60-25-24-44-94(199)250)163(276)230-109(59-23-22-43-93(198)249)162(275)229-108(58-21-20-42-92(197)248)161(274)228-107(57-19-18-41-91(196)247)160(273)227-106(56-17-16-40-90(195)246)159(272)226-105(55-15-14-39-89(194)245)158(271)225-104(54-13-12-38-88(193)244)157(270)224-103(53-11-10-37-87(192)243)156(269)223-102(52-9-8-36-86(191)242)155(268)222-101(51-7-6-35-85(190)241)154(267)221-100(50-5-4-34-84(189)240)153(266)220-99(49-3-2-33-83(188)239)152(265)219-98(48-1)151(264)218-97(47-32-31-46-82(187)238)150(263)217/h23-28,37-40,51-54,63-72,97-142,167-168,269-271H,2-22,29-36,41-50,55-96,143-149,212-215H2,1H3,(H,218,264)(H,219,265)(H,220,266)(H,221,267)(H,222,268)(H,223,269)(H,224,270)(H,225,271)(H,226,272)(H,227,273)(H,228,274)(H,229,275)(H,230,276)(H,231,277)(H,232,278)(H,233,279)(H,234,280)(H,235,281)(H,236,282)(H,237,283)(H,238,284)(H,239,285)(H,240,286)(H,241,287)(H,242,288)(H,243,289)(H,244,290)(H,245,291)(H,246,292)(H,247,293)(H,248,294)(H,249,295)(H,250,296)(H,251,297)(H,252,298)(H,253,299)(H,254,300)(H,255,301)(H,256,302)(H,257,303)(H,258,304)(H,259,305)(H,260,306)(H,261,307)(H,262,308)(H,263,309)

InChIKey

ADKDNDYYIZUVCZ-ZQNQAVPYSA-N

Isomeric SMILES

N/A

Canonical SMILES

CC(C)CC(NC(=O)C(NCCCCN)NC(=O)C(NCCCCN)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)C(=O)O)C(=O)C

IUPAC Name

acetyl-L-leucyl-L-lysyl-L-lysyl-L-threonyl-L-glutamyl-L-threonyl-L-glutamic acid