basic_info |
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Product_Name: | 6-氨基-4-(羟甲基)-4-环己基-[4H,5H]-1,2,3-三醇 |
CAS: | 32780-32-8 |
中文同义词: | 6-氨基-4-(羟甲基)-4-环己基-[4H,5H]-1,2,3-三醇 |
EnglishSynonyms: | VALIDAMINE ; PT141 ACETATE ; AC-NLE-ASP-HIS-D-PHE-ARG-TRP-LYS-OH ; BREMELANOTIDE ACETATE |
pro_mdlNumber: | MFCD11977711 |
pro_acceptors: | 25 |
pro_donors: | 15 |
pro_smile: | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)C |
InChi: | InChI=1S/C50H70N14O11/c1-3-4-16-35(58-29(2)65)43(68)64-41(25-42(66)67)48(73)63-40(24-32-27-54-28-57-32)47(72)61-38(22-30-13-6-5-7-14-30)45(70)59-36(19-12-21-55-50(52)53)44(69)62-39(23-31-26-56-34-17-9-8-15-33(31)34)46(71)60-37(49(74)75)18-10-11-20-51/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25,51H2,1-2H3,(H,54,57)(H,58,65)(H,59,70)(H,60,71)(H,61,72)(H,62,69)(H,63,73)(H,64,68)(H,66,67)(H,74,75)(H4,52,53,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1 |
InChiKey: | InChIKey=ZUYRIZOJCLKNBN-MFVUMRCOSA-N |
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