basic_info |
|
| Product_Name: | CYS-GLY-HIS-GLY-ASN-LYS-SER-AMYLOID BETA-PROTEIN (33-40) TRIFLUOROACETATE SALT |
| EnglishSynonyms: | H-CYS-GLY-HIS-GLY-ASN-LYS-SER-GLY-LEU-MET-VAL-GLY-GLY-VAL-VAL-OH TRIFLUOROACETATE SALT ; CYS-GLY-HIS-GLY-ASN-LYS-SER-AMYLOID BETA-PROTEIN (33-40) TRIFLUOROACETATE SALT |
| pro_mdlNumber: | MFCD18782400 |
| pro_acceptors: | 37 |
| pro_donors: | 20 |
| pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CS)N.C(=O)(C(F)(F)F)O |
| InChi: | InChI=1S/C58H99N19O18S2.C2HF3O2/c1-28(2)16-36(54(90)73-35(13-15-97-9)53(89)76-46(29(3)4)56(92)67-20-41(80)63-21-45(84)75-47(30(5)6)57(93)77-48(31(7)8)58(94)95)69-43(82)24-66-51(87)39(25-78)74-52(88)34(12-10-11-14-59)72-55(91)38(18-40(61)79)71-44(83)23-65-50(86)37(17-32-19-62-27-68-32)70-42(81)22-64-49(85)33(60)26-96;3-2(4,5)1(6)7/h19,27-31,33-39,46-48,78,96H,10-18,20-26,59-60H2,1-9H3,(H2,61,79)(H,62,68)(H,63,80)(H,64,85)(H,65,86)(H,66,87)(H,67,92)(H,69,82)(H,70,81)(H,71,83)(H,72,91)(H,73,90)(H,74,88)(H,75,84)(H,76,89)(H,77,93)(H,94,95);(H,6,7)/t33-,34-,35-,36-,37-,38-,39-,46-,47-,48-;/m0./s1 |
| InChiKey: | InChIKey=BVRWRGLPBZZAHO-MZXLXZEZSA-N |
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