
| CAS Number | 109770-29-8 |
| Catalog Number | AG008RN0(AGN-PC-0OZTVV) |
| Chemical Name | H-ASP-ALA-GLU-PHE-ARG-HIS-ASP-SER-GLY-TYR-GLU-VAL-HIS-HIS-GLN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ASP-VAL-GLY-SER-ASN-LYS-OH |
| IUPAC Name | (2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C145H209N41O46.C2HF3O2/c1-71(2)49-93(138(225)186-118(74(7)8)142(229)181-97(52-79-29-18-13-19-30-79)132(219)175-95(50-77-25-14-11-15-26-77)129(216)163-76(10)120(207)167-90(40-44-111(196)197)127(214)179-103(60-115(204)205)139(226)184-116(72(3)4)141(228)158-65-109(193)165-105(67-188)140(227)178-101(58-107(150)191)136(223)172-92(144(231)232)32-21-23-47-147)173-123(210)86(31-20-22-46-146)168-125(212)88(38-42-106(149)190)170-133(220)98(54-81-61-153-68-159-81)177-135(222)100(56-83-63-155-70-161-83)182-143(230)117(73(5)6)185-128(215)91(41-45-112(198)199)171-130(217)94(53-80-34-36-84(189)37-35-80)164-108(192)64-157-122(209)104(66-187)183-137(224)102(59-114(202)203)180-134(221)99(55-82-62-154-69-160-82)176-124(211)87(33-24-48-156-145(151)152)169-131(218)96(51-78-27-16-12-17-28-78)174-126(213)89(39-43-110(194)195)166-119(206)75(9)162-121(208)85(148)57-113(200)201;3-2(4,5)1(6)7/h11-19,25-30,34-37,61-63,68-76,85-105,116-118,187-189H,20-24,31-33,38-60,64-67,146-148H2,1-10H3,(H2,149,190)(H2,150,191)(H,153,159)(H,154,160)(H,155,161)(H,157,209)(H,158,228)(H,162,208)(H,163,216)(H,164,192)(H,165,193)(H,166,206)(H,167,207)(H,168,212)(H,169,218)(H,170,220)(H,171,217)(H,172,223)(H,173,210)(H,174,213)(H,175,219)(H,176,211)(H,177,222)(H,178,227)(H,179,214)(H,180,221)(H,181,229)(H,182,230)(H,183,224)(H,184,226)(H,185,215)(H,186,225)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,231,232)(H4,151,152,156);(H,6,7)/t75-,76-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,116-,117-,118-;/m0./s1 |
| InChI Key | XQCAKHZIUQZVJU-NDUKRNHYSA-N |
| MDL Number | MFCD00133074 |
| Molecular Formula | C145H209N41O46 |
| Molecular Weight | 3262.4581 |
| SMILES | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CC(=O)N)CO)C(C)C)CC(=O)O)CCC(=O)O)C)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)C)CCC(=O)O)Cc1ccccc1)CCCNC(=N)N)Cc1nc[nH]c1)CC(=O)O)CO)CCC(=O)O)Cc1nc[nH]c1)Cc1nc[nH]c1)CCC(=O)N |
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