BETA-ALA-TRP-MET-ASP-PHE AMIDE ACETATE SALT

CAS No.
21880-05-7
CCD No.
CCD00064076
Formula
C32 H41 N7 O7 S . C2 H4 O2
MolWeight
727.836

Basic Information

Product Name: BETA-ALA-TRP-MET-ASP-PHE AMIDE ACETATE SALT
CAS: 21880-05-7
English Synonyms: BETA-ALA-TRP-MET-ASP-PHE AMIDE ACETATE SALT ; DES-BOC-PENTAGASTRIN
MDL Number.: MFCD00133124
H bond acceptor: 14
H bond donor: 8
Smile: CC(=O)O.CSCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCN
InChi: InChI=1S/C32H41N7O7S.C2H4O2/c1-47-14-12-23(37-31(45)25(36-27(40)11-13-33)16-20-18-35-22-10-6-5-9-21(20)22)30(44)39-26(17-28(41)42)32(46)38-24(29(34)43)15-19-7-3-2-4-8-19;1-2(3)4/h2-10,18,23-26,35H,11-17,33H2,1H3,(H2,34,43)(H,36,40)(H,37,45)(H,38,46)(H,39,44)(H,41,42);1H3,(H,3,4)/t23-,24-,25-,26-;/m0./s1
InChiKey: InChIKey=UHOCDIHMAWSWJK-KRZJFFIJSA-N

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