AMYLOID BETA-PROTEIN (10-35) TRIFLUOROACETATE

CAS No.
237753-66-1
CCD No.
CCD01268319
Formula
C133 H204 N34 O37 S . C2 H F3 O2
MolWeight
3017.36

Basic Information

Product Name: AMYLOID BETA-PROTEIN (10-35) TRIFLUOROACETATE
CAS: 237753-66-1
English Synonyms: TYR-GLU-VAL-HIS-HIS-GLN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ASP-VAL-GLY-SER-ASN-LYS-GLY-ALA-ILE-ILE-GLY-LEU-MET TRIFLUOROACETATE ; AMYLOID BETA-PROTEIN (10-35) TRIFLUOROACETATE
MDL Number.: MFCD11655990
H bond acceptor: 71
H bond donor: 38
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)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)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C133H204N34O37S.C2HF3O2/c1-18-72(13)109(129(199)143-62-101(173)148-89(50-67(3)4)120(190)155-88(133(203)204)46-49-205-17)167-132(202)110(73(14)19-2)166-112(182)74(15)146-100(172)61-141-114(184)83(34-26-28-47-134)152-124(194)95(57-99(138)171)159-127(197)97(64-168)149-102(174)63-142-128(198)106(69(7)8)163-126(196)96(58-105(179)180)160-117(187)86(41-44-103(175)176)150-111(181)75(16)147-119(189)91(53-76-30-22-20-23-31-76)157-121(191)92(54-77-32-24-21-25-33-77)161-130(200)108(71(11)12)165-125(195)90(51-68(5)6)156-115(185)84(35-27-29-48-135)153-116(186)85(40-43-98(137)170)154-122(192)93(55-79-59-139-65-144-79)158-123(193)94(56-80-60-140-66-145-80)162-131(201)107(70(9)10)164-118(188)87(42-45-104(177)178)151-113(183)82(136)52-78-36-38-81(169)39-37-78;3-2(4,5)1(6)7/h20-25,30-33,36-39,59-60,65-75,82-97,106-110,168-169H,18-19,26-29,34-35,40-58,61-64,134-136H2,1-17H3,(H2,137,170)(H2,138,171)(H,139,144)(H,140,145)(H,141,184)(H,142,198)(H,143,199)(H,146,172)(H,147,189)(H,148,173)(H,149,174)(H,150,181)(H,151,183)(H,152,194)(H,153,186)(H,154,192)(H,155,190)(H,156,185)(H,157,191)(H,158,193)(H,159,197)(H,160,187)(H,161,200)(H,162,201)(H,163,196)(H,164,188)(H,165,195)(H,166,182)(H,167,202)(H,175,176)(H,177,178)(H,179,180)(H,203,204);(H,6,7)/t72-,73-,74-,75-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,106-,107-,108-,109-,110-;/m0./s1
InChiKey: InChIKey=FOSBKIYPWLNTJV-BAGJTMSVSA-N

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