(DES-ACETYL)-ALPHA-MSH TRIFLUOROACETATE SALT

CAS No.
53697-27-1
CCD No.
CCD04458367
Formula
C75 H107 N21 O18 S . C2 H F3 O2
MolWeight
1736.89

Basic Information

Product Name: (DES-ACETYL)-ALPHA-MSH TRIFLUOROACETATE SALT
CAS: 53697-27-1
English Synonyms: H-SER-TYR-SER-MET-GLU-HIS-PHE-ARG-TRP-GLY-LYS-PRO-VAL-NH2 TRIFLUOROACETATE SALT ; (DES-ACETYL)-ALPHA-MSH TRIFLUOROACETATE SALT ; ACTH (1-13) AMIDE TRIFLUOROACETATE SALT
MDL Number.: MFCD18782247
H bond acceptor: 39
H bond donor: 23
Smile: CC(C)[C@@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)[C@H](CO)N.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C75H107N21O18S.C2HF3O2/c1-41(2)62(63(78)103)95-73(113)59-19-12-29-96(59)74(114)53(17-9-10-27-76)86-60(100)37-84-65(105)56(33-44-35-83-49-16-8-7-15-47(44)49)92-66(106)50(18-11-28-82-75(79)80)87-69(109)55(31-42-13-5-4-6-14-42)91-71(111)57(34-45-36-81-40-85-45)93-67(107)51(24-25-61(101)102)88-68(108)52(26-30-115-3)89-72(112)58(39-98)94-70(110)54(90-64(104)48(77)38-97)32-43-20-22-46(99)23-21-43;3-2(4,5)1(6)7/h4-8,13-16,20-23,35-36,40-41,48,50-59,62,83,97-99H,9-12,17-19,24-34,37-39,76-77H2,1-3H3,(H2,78,103)(H,81,85)(H,84,105)(H,86,100)(H,87,109)(H,88,108)(H,89,112)(H,90,104)(H,91,111)(H,92,106)(H,93,107)(H,94,110)(H,95,113)(H,101,102)(H4,79,80,82);(H,6,7)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-;/m0./s1
InChiKey: InChIKey=HBBCOYSCTIMKMI-JMIITERTSA-N

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