LEU-ILE-HIS-LEU-LEU-HIS-GLN-THR-ILE-ASP-SER-TYR-PRO-THR-GLY

pro_cas
pro_cdbregno
CCD00118487
pro_formula
C78 H122 N20 O23
pro_molWeight
1707.94

basic_info

Product_Name: LEU-ILE-HIS-LEU-LEU-HIS-GLN-THR-ILE-ASP-SER-TYR-PRO-THR-GLY
EnglishSynonyms: REV (16-30) ; LEU-ILE-HIS-LEU-LEU-HIS-GLN-THR-ILE-ASP-SER-TYR-PRO-THR-GLY
pro_mdlNumber: MFCD00273787
pro_acceptors: 43
pro_donors: 23
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)O)NC(=O)[C@H](CC(C)C)N
InChi: InChI=1S/C78H122N20O23/c1-13-40(9)61(94-65(108)48(79)24-37(3)4)75(118)90-53(29-46-32-82-36-85-46)70(113)88-50(25-38(5)6)67(110)87-51(26-39(7)8)68(111)89-52(28-45-31-81-35-84-45)69(112)86-49(21-22-58(80)103)66(109)96-64(43(12)101)77(120)95-62(41(10)14-2)76(119)91-54(30-59(104)105)71(114)93-56(34-99)72(115)92-55(27-44-17-19-47(102)20-18-44)78(121)98-23-15-16-57(98)73(116)97-63(42(11)100)74(117)83-33-60(106)107/h17-20,31-32,35-43,48-57,61-64,99-102H,13-16,21-30,33-34,79H2,1-12H3,(H2,80,103)(H,81,84)(H,82,85)(H,83,117)(H,86,112)(H,87,110)(H,88,113)(H,89,111)(H,90,118)(H,91,119)(H,92,115)(H,93,114)(H,94,108)(H,95,120)(H,96,109)(H,97,116)(H,104,105)(H,106,107)/t40-,41-,42+,43+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-,64-/m0/s1
InChiKey: InChIKey=AMDHESGCSBCXLR-CPWUPVIGSA-N

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