BUTIR-HIS-D-PHE-ARG-TRP-SAR-NH2 TRIFLUOROACETATE SALT

CAS No.
CCD No.
CCD01000914
Formula
C39 H52 N12 O6 . C2 H F3 O2
MolWeight
898.94

Basic Information

Product Name: BUTIR-HIS-D-PHE-ARG-TRP-SAR-NH2 TRIFLUOROACETATE SALT
English Synonyms: BUTIR-HIS-D-PHE-ARG-TRP-SAR-NH2 TRIFLUOROACETATE SALT ; RO 27-3225 TRIFLUOROACETATE SALT ; BUTIR-HIS-PHE-ARG-TRP-SAR-NH2 TRIFLUOROACETATE SALT
MDL Number.: MFCD11045305
H bond acceptor: 18
H bond donor: 10
Smile: CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N(C)CC(=O)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C39H52N12O6.C2HF3O2/c1-3-10-34(53)47-31(19-26-21-43-23-46-26)37(56)49-30(17-24-11-5-4-6-12-24)36(55)48-29(15-9-16-44-39(41)42)35(54)50-32(38(57)51(2)22-33(40)52)18-25-20-45-28-14-8-7-13-27(25)28;3-2(4,5)1(6)7/h4-8,11-14,20-21,23,29-32,45H,3,9-10,15-19,22H2,1-2H3,(H2,40,52)(H,43,46)(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,44);(H,6,7)/t29-,30+,31-,32-;/m0./s1
InChiKey: InChIKey=XBNXUPIBUGBMCO-KQQVHNFSSA-N

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