(Z-ILE-PRO-ARG)2-R110, DIHYDROCHLORIDE

pro_cas
pro_cdbregno
CCD00136276
pro_formula
C70 H87 N14 O13 . Cl . 2 Cl H
pro_molWeight
1440.92

basic_info

Product_Name: (Z-ILE-PRO-ARG)2-R110, DIHYDROCHLORIDE
EnglishSynonyms: BZIPAR ; (Z-ILE-PRO-ARG)2-R110, DIHYDROCHLORIDE ; RHODAMINE 110 BIS-(CBZ-L-ISOLEUCYL-L-PROLYL-L-ARGININE AMIDE)DIHYDROCHLORIDE
pro_mdlNumber: MFCD00467932
pro_acceptors: 27
pro_donors: 13
pro_smile: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc3c(c2)[o+]c4cc(ccc4c3c5ccccc5C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H]([C@@H](C)CC)NC(=O)OCc7ccccc7)NC(=O)OCc8ccccc8.Cl.Cl.[Cl-]
InChi: InChI=1S/C70H86N14O13.3ClH/c1-5-41(3)58(81-69(93)95-39-43-19-9-7-10-20-43)64(89)83-35-17-27-53(83)62(87)79-51(25-15-33-75-67(71)72)60(85)77-45-29-31-49-55(37-45)97-56-38-46(30-32-50(56)57(49)47-23-13-14-24-48(47)66(91)92)78-61(86)52(26-16-34-76-68(73)74)80-63(88)54-28-18-36-84(54)65(90)59(42(4)6-2)82-70(94)96-40-44-21-11-8-12-22-44;;;/h7-14,19-24,29-32,37-38,41-42,51-54,58-59H,5-6,15-18,25-28,33-36,39-40H2,1-4H3,(H14-,71,72,73,74,75,76,77,78,79,80,81,82,85,86,87,88,91,92,93,94);3*1H/t41-,42-,51-,52-,53-,54-,58-,59-;;;/m0.../s1
InChiKey: InChIKey=BYFKSNCIBFQWGK-WAIFDKFSSA-N

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