H-GLY-GLY-LEU-PRO-VAL-PRO-LEU-ASP-GLN-THR-LEU-PRO-LEU-ASN-VAL-ASN-PRO-ALA-OH TRIFLUOROACETATE

pro_cas
pro_cdbregno
CCD07506918
pro_formula
C82 H135 N21 O25 . C2 H F3 O2
pro_molWeight
1929.11

basic_info

Product_Name: H-GLY-GLY-LEU-PRO-VAL-PRO-LEU-ASP-GLN-THR-LEU-PRO-LEU-ASN-VAL-ASN-PRO-ALA-OH TRIFLUOROACETATE
EnglishSynonyms: SPLUNC1 (22-39) TRIFLUOROACETATE ; H-GLY-GLY-LEU-PRO-VAL-PRO-LEU-ASP-GLN-THR-LEU-PRO-LEU-ASN-VAL-ASN-PRO-ALA-OH TRIFLUOROACETATE
pro_mdlNumber: MFCD22581255
pro_acceptors: 46
pro_donors: 20
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C82H135N21O25.C2HF3O2/c1-38(2)29-47(68(113)91-49(33-59(85)106)71(116)97-64(42(9)10)76(121)96-53(34-60(86)107)80(125)100-25-15-19-54(100)72(117)88-44(13)82(127)128)93-73(118)55-20-16-26-101(55)79(124)52(32-41(7)8)95-77(122)66(45(14)104)99-67(112)46(23-24-58(84)105)90-70(115)50(35-63(110)111)92-69(114)48(30-39(3)4)94-74(119)56-21-18-28-103(56)81(126)65(43(11)12)98-75(120)57-22-17-27-102(57)78(123)51(31-40(5)6)89-62(109)37-87-61(108)36-83;3-2(4,5)1(6)7/h38-57,64-66,104H,15-37,83H2,1-14H3,(H2,84,105)(H2,85,106)(H2,86,107)(H,87,108)(H,88,117)(H,89,109)(H,90,115)(H,91,113)(H,92,114)(H,93,118)(H,94,119)(H,95,122)(H,96,121)(H,97,116)(H,98,120)(H,99,112)(H,110,111)(H,127,128);(H,6,7)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-,65-,66-;/m0./s1
InChiKey: InChIKey=MKOSUOXYGVTZFW-KEFZGVTPSA-N

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