basic_info |
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Product_Name: | PROSTATE SPECIFIC ANTIGEN SUBSTRATE |
EnglishSynonyms: | PROSTATE SPECIFIC ANTIGEN SUBSTRATE ; MORPHOLINECARBONYL-HIS-SER-SER-LYS-LEU-GLN-7-AMINO-4(TRIFLUOROMETHYL)-COUMARIDE ; MU-HIS-SER-SER-LYS-LEU-GLN-AFC |
pro_mdlNumber: | MFCD17215343 |
pro_acceptors: | 25 |
pro_donors: | 12 |
pro_smile: | CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)N4CCOCC4 |
InChi: | InChI=1S/C44H61F3N12O13/c1-23(2)15-30(39(66)54-29(8-9-35(49)62)37(64)52-24-6-7-26-27(44(45,46)47)18-36(63)72-34(26)17-24)55-38(65)28(5-3-4-10-48)53-41(68)32(20-60)57-42(69)33(21-61)56-40(67)31(16-25-19-50-22-51-25)58-43(70)59-11-13-71-14-12-59/h6-7,17-19,22-23,28-33,60-61H,3-5,8-16,20-21,48H2,1-2H3,(H2,49,62)(H,50,51)(H,52,64)(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)/t28-,29-,30-,31-,32-,33-/m0/s1 |
InChiKey: | InChIKey=RAQPAWAKUFIVKD-FSJACQRISA-N |
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