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Thymosin Beta-4 — Full-Length (43 aa; TB-500) 5mg

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CID

45382195
CAS

77591-33-4
InChI

InChI=1S/C212H350N56O78S/c1-16-106(7)166(261-190(323)131(64-75-160(292)293)231-172(305)109(10)228-174(307)134(78-91-347-15)245-196(329)140(98-165(302)303)255-201(334)147-53-39-88-266(147)209(342)135(52-29-38-87-221)250-197(330)139(97-164(300)301)254-198(331)143(100-269)229-113(14)276)204(337)246-129(62-73-158(288)289)187(320)233-118(47-24-33-82-216)179(312)252-137(94-114-42-19-18-20-43-114)194(327)253-138(96-163(298)299)195(328)237-121(50-27-36-85-219)181(314)258-144(101-270)199(332)239-119(48-25-34-83-217)178(311)251-136(92-104(3)4)193(326)236-116(45-22-31-80-214)175(308)235-122(51-28-37-86-220)189(322)263-168(110(11)273)207(340)249-133(66-77-162(296)297)192(325)264-169(111(12)274)206(339)248-126(58-69-152(224)279)184(317)243-128(61-72-157(286)287)186(319)234-120(49-26-35-84-218)180(313)256-142(95-153(225)280)211(344)268-90-40-54-148(268)202(335)257-141(93-105(5)6)210(343)267-89-41-55-149(267)203(336)259-145(102-271)200(333)238-117(46-23-32-81-215)177(310)244-132(65-76-161(294)295)191(324)265-170(112(13)275)208(341)262-167(107(8)17-2)205(338)247-130(63-74-159(290)291)188(321)241-125(57-68-151(223)278)183(316)242-127(60-71-156(284)285)185(318)232-115(44-21-30-79-213)176(309)240-124(56-67-150(222)277)173(306)227-108(9)171(304)226-99-154(281)230-123(59-70-155(282)283)182(315)260-146(103-272)212(345)346/h18-20, 42-43, 104-112, 115-149, 166-170, 269-275H, 16-17, 21-41, 44-103, 213-221H2, 1-15H3, (H2, 222, 277)(H2, 223, 278)(H2, 224, 279)(H2, 225, 280)(H, 226, 304)(H, 227, 306)(H, 228, 307)(H, 229, 276)(H, 230, 281)(H, 231, 305)(H, 232, 318)(H, 233, 320)(H, 234, 319)(H, 235, 308)(H, 236, 326)(H, 237, 328)(H, 238, 333)(H, 239, 332)(H, 240, 309)(H, 241, 321)(H, 242, 316)(H, 243, 317)(H, 244, 310)(H, 245, 329)(H, 246, 337)(H, 247, 338)(H, 248, 339)(H, 249, 340)(H, 250, 330)(H, 251, 311)(H, 252, 312)(H, 253, 327)(H, 254, 331)(H, 255, 334)(H, 256, 313)(H, 257, 335)(H, 258, 314)(H, 259, 336)(H, 260, 315)(H, 261, 323)(H, 262, 341)(H, 263, 322)(H, 264, 325)(H, 265, 324)(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, 345, 346)
InChIKey

UGPMCIBIHRSCBV-UHFFFAOYSA-N
Canonical SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C
IUPAC Name

4-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoylamino]acetyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid
Molecular Formula

C212H350N56O78S
Molecular Weight

4963
Monoisotopic Mass

4960.4863169
Polar Area

2250
Complexity

12200
XLogP

-43.5
Heavy Atom Count

347
Hydrogen Bond Donor Count

72
Hydrogen Bond Acceptor Count

88
Rotatable Bond Count

180
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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