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Basic Information |
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Product Name: | AC-SER-PRO-TYR-SER-SER-ASP-THR-THR-PRO-ALA-ALA-PHE-ALA-TYR-NH2 TRIFLUOROACETATE |
CAS: | 838825-26-6 |
English Synonyms: | AC-SER-PRO-TYR-SER-SER-ASP-THR-THR-PRO-ALA-ALA-PHE-ALA-TYR-NH2 TRIFLUOROACETATE SALT ; AC-SER-PRO-TYR-SER-SER-ASP-THR-THR-PRO-ALA-ALA-PHE-ALA-TYR-NH2 TRIFLUOROACETATE ; ACETYL-(ALA10.11)-RANTES (1-14) AMIDE (HUMAN) TRIFLUOROACETATE SALT |
MDL Number.: | MFCD09037401 |
H bond acceptor: | 39 |
H bond donor: | 21 |
Smile: | C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)C)O.C(=O)(C(F)(F)F)O |
InChi: | InChI=1S/C69H95N15O24.C2HF3O2/c1-33(57(96)71-34(2)59(98)76-45(27-39-12-8-7-9-13-39)60(99)72-35(3)58(97)75-44(56(70)95)26-40-16-20-42(91)21-17-40)73-65(104)51-14-11-25-84(51)69(108)55(37(5)89)82-67(106)54(36(4)88)81-62(101)47(29-53(93)94)77-63(102)48(30-85)80-64(103)49(31-86)79-61(100)46(28-41-18-22-43(92)23-19-41)78-66(105)52-15-10-24-83(52)68(107)50(32-87)74-38(6)90;3-2(4,5)1(6)7/h7-9,12-13,16-23,33-37,44-52,54-55,85-89,91-92H,10-11,14-15,24-32H2,1-6H3,(H2,70,95)(H,71,96)(H,72,99)(H,73,104)(H,74,90)(H,75,97)(H,76,98)(H,77,102)(H,78,105)(H,79,100)(H,80,103)(H,81,101)(H,82,106)(H,93,94);(H,6,7)/t33-,34-,35-,36+,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-;/m0./s1 |
InChiKey: | InChIKey=WJABBYKEMGQZNZ-IMYVAJAGSA-N |
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