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CID

168429725
CAS

2805997-46-8
InChI

InChI=1S/C192H289N47O61/c1-12-103(6)157(186(295)221-122(170(279)227-134(83-113-88-203-119-48-34-33-47-117(113)119)177(286)223-128(77-101(2)3)173(282)219-126(66-70-153(261)262)172(281)232-140(97-242)183(292)210-104(7)160(197)269)51-37-40-75-201-146(252)90-205-147(253)91-206-165(274)138(95-240)215-149(255)93-208-166(275)139(96-241)214-148(254)92-204-144(250)68-64-127(189(298)299)213-145(251)53-31-23-21-19-17-15-13-14-16-18-20-22-24-32-54-151(257)258)237-181(290)132(79-109-43-27-25-28-44-109)226-179(288)136(86-155(265)266)228-168(277)120(49-35-38-73-193)216-162(271)106(9)211-161(270)105(8)212-167(276)123(52-41-76-202-191(198)199)217-171(280)125(65-69-152(259)260)220-178(287)135(85-154(263)264)229-174(283)129(78-102(4)5)222-175(284)130(81-111-55-59-115(247)60-56-111)224-169(278)121(50-36-39-74-194)218-184(293)141(98-243)233-176(285)131(82-112-57-61-116(248)62-58-112)225-180(289)137(87-156(267)268)230-185(294)142(99-244)234-188(297)159(108(11)246)238-182(291)133(80-110-45-29-26-30-46-110)231-187(296)158(107(10)245)236-150(256)94-207-164(273)124(63-67-143(196)249)235-190(300)192(71-42-72-192)239-163(272)118(195)84-114-89-200-100-209-114/h25-30, 33-34, 43-48, 55-62, 88-89, 100-108, 118, 120-142, 157-159, 203, 240-248H, 12-24, 31-32, 35-42, 49-54, 63-87, 90-99, 193-195H2, 1-11H3, (H2, 196, 249)(H2, 197, 269)(H, 200, 209)(H, 201, 252)(H, 204, 250)(H, 205, 253)(H, 206, 274)(H, 207, 273)(H, 208, 275)(H, 210, 292)(H, 211, 270)(H, 212, 276)(H, 213, 251)(H, 214, 254)(H, 215, 255)(H, 216, 271)(H, 217, 280)(H, 218, 293)(H, 219, 282)(H, 220, 287)(H, 221, 295)(H, 222, 284)(H, 223, 286)(H, 224, 278)(H, 225, 289)(H, 226, 288)(H, 227, 279)(H, 228, 277)(H, 229, 283)(H, 230, 294)(H, 231, 296)(H, 232, 281)(H, 233, 285)(H, 234, 297)(H, 235, 300)(H, 236, 256)(H, 237, 290)(H, 238, 291)(H, 239, 272)(H, 257, 258)(H, 259, 260)(H, 261, 262)(H, 263, 264)(H, 265, 266)(H, 267, 268)(H, 298, 299)(H4, 198, 199, 202)/t103-, 104+, 105-, 106-, 107+, 108+, 118-, 120-, 121-, 122+, 123-, 124-, 125-, 126+, 127?, 128+, 129-, 130+, 131-, 132-, 133-, 134+, 135-, 136-, 137-, 138+, 139+, 140+, 141-, 142-, 157-, 158-, 159-/m0/s1
IUPAC Name

18-[[4-[[2-[[(2R)-1-[[2-[[(2R)-1-[[2-[[2-[[(5R)-5-[[(2S, 3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S, 3R)-2-[[(2S)-2-[[(2S, 3R)-2-[[2-[[(2S)-5-amino-2-[[1-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]cyclobutanecarbonyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-6-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
Molecular Formula

C192H289N47O61
Molecular Weight

4232
Monoisotopic Mass

4229.0957042
Polar Area

1760
Complexity

10100
XLogP

-14.1
Heavy Atom Count

300
Hydrogen Bond Donor Count

62
Hydrogen Bond Acceptor Count

66
Rotatable Bond Count

149
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

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