H-LEU-TYR-ILE-ASP-PHE-ARG-LYS-ASP-LEU-GLY-OH ACETATE SALT

pro_cas
pro_cdbregno
CCD04458280
pro_formula
C58 H90 N14 O16 . C2 H4 O2
pro_molWeight
1299.48

basic_info

Product_Name: H-LEU-TYR-ILE-ASP-PHE-ARG-LYS-ASP-LEU-GLY-OH ACETATE SALT
EnglishSynonyms: H-LEU-TYR-ILE-ASP-PHE-ARG-LYS-ASP-LEU-GLY-OH ACETATE SALT
pro_mdlNumber: MFCD18782159
pro_acceptors: 30
pro_donors: 18
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CC(C)C)N.CC(=O)O
InChi: InChI=1S/C58H90N14O16.C2H4O2/c1-7-33(6)48(72-56(87)42(27-35-18-20-36(73)21-19-35)67-49(80)37(60)24-31(2)3)57(88)71-44(29-46(76)77)55(86)69-41(26-34-14-9-8-10-15-34)53(84)66-39(17-13-23-63-58(61)62)51(82)65-38(16-11-12-22-59)52(83)70-43(28-45(74)75)54(85)68-40(25-32(4)5)50(81)64-30-47(78)79;1-2(3)4/h8-10,14-15,18-21,31-33,37-44,48,73H,7,11-13,16-17,22-30,59-60H2,1-6H3,(H,64,81)(H,65,82)(H,66,84)(H,67,80)(H,68,85)(H,69,86)(H,70,83)(H,71,88)(H,72,87)(H,74,75)(H,76,77)(H,78,79)(H4,61,62,63);1H3,(H,3,4)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,48-;/m0./s1
InChiKey: InChIKey=XBHORFAVCJFICO-LCUYMBOASA-N

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