Basic Information |
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Product Name: | 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-GLY-ALA |
English Synonyms: | 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-GLY-ALA ; DAEFRHDSGYEVHHQKLVFFAEDVGSNKGA ; BETA AMYLOID (1-30) |
MDL Number.: | MFCD09264732 |
H bond acceptor: | 91 |
H bond donor: | 50 |
Smile: | CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N |
InChi: | InChI=1S/C150H217N43O48/c1-73(2)50-96(143(234)193-122(76(7)8)147(238)188-100(53-82-30-19-14-20-31-82)137(228)182-98(51-80-26-15-12-16-27-80)134(225)170-78(10)124(215)174-94(41-45-115(204)205)132(223)186-106(61-119(212)213)144(235)191-120(74(3)4)146(237)164-67-113(201)172-108(69-195)145(236)185-104(59-110(155)198)141(232)175-89(32-21-23-47-151)126(217)162-65-111(199)168-79(11)149(240)241)180-128(219)90(33-22-24-48-152)176-130(221)92(39-43-109(154)197)178-138(229)101(55-84-62-158-70-165-84)184-140(231)103(57-86-64-160-72-167-86)189-148(239)121(75(5)6)192-133(224)95(42-46-116(206)207)179-135(226)97(54-83-35-37-87(196)38-36-83)171-112(200)66-163-127(218)107(68-194)190-142(233)105(60-118(210)211)187-139(230)102(56-85-63-159-71-166-85)183-129(220)91(34-25-49-161-150(156)157)177-136(227)99(52-81-28-17-13-18-29-81)181-131(222)93(40-44-114(202)203)173-123(214)77(9)169-125(216)88(153)58-117(208)209/h12-20,26-31,35-38,62-64,70-79,88-108,120-122,194-196H,21-25,32-34,39-61,65-69,151-153H2,1-11H3,(H2,154,197)(H2,155,198)(H,158,165)(H,159,166)(H,160,167)(H,162,217)(H,163,218)(H,164,237)(H,168,199)(H,169,216)(H,170,225)(H,171,200)(H,172,201)(H,173,214)(H,174,215)(H,175,232)(H,176,221)(H,177,227)(H,178,229)(H,179,226)(H,180,219)(H,181,222)(H,182,228)(H,183,220)(H,184,231)(H,185,236)(H,186,223)(H,187,230)(H,188,238)(H,189,239)(H,190,233)(H,191,235)(H,192,224)(H,193,234)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,240,241)(H4,156,157,161)/t77-,78-,79-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,120-,121-,122-/m0/s1 |
InChiKey: | InChIKey=UUHRUXKCBIPYRT-CDGSTKBTSA-N |
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