PROTEIN KINASE C BETA II PEPTIDE INHIBITOR I TRIFLUOROACETATE SALT

CAS No.
862502-26-9
CCD No.
CCD01000910
Formula
C61 H94 N12 O19 . C2 H F3 O2
MolWeight
1413.5

Basic Information

Product Name: PROTEIN KINASE C BETA II PEPTIDE INHIBITOR I TRIFLUOROACETATE SALT
CAS: 862502-26-9
English Synonyms: PROTEIN KINASE C BETA II PEPTIDE INHIBITOR I TRIFLUOROACETATE SALT ; PKCBETAII PEPTIDE INHIBITOR I TRIFLUOROACETATE SALT ; MYR-SER-LEU-ASN-PRO-GLU-TRP-ASN-GLU-THR TRIFLUOROACETATE SALT
MDL Number.: MFCD11045301
H bond acceptor: 31
H bond donor: 16
Smile: CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C61H94N12O19.C2HF3O2/c1-5-6-7-8-9-10-11-12-13-14-15-22-49(78)65-45(33-74)58(88)68-41(28-34(2)3)55(85)71-44(31-48(63)77)60(90)73-27-18-21-46(73)59(89)67-39(23-25-50(79)80)53(83)69-42(29-36-32-64-38-20-17-16-19-37(36)38)56(86)70-43(30-47(62)76)57(87)66-40(24-26-51(81)82)54(84)72-52(35(4)75)61(91)92;3-2(4,5)1(6)7/h16-17,19-20,32,34-35,39-46,52,64,74-75H,5-15,18,21-31,33H2,1-4H3,(H2,62,76)(H2,63,77)(H,65,78)(H,66,87)(H,67,89)(H,68,88)(H,69,83)(H,70,86)(H,71,85)(H,72,84)(H,79,80)(H,81,82)(H,91,92);(H,6,7)/t35-,39+,40+,41+,42+,43+,44+,45+,46+,52+;/m1./s1
InChiKey: InChIKey=FATKAQBIAPMYQT-YPNBOXGNSA-N

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WGK Germany: 3

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