D12-116 TRIFLUOROACETATE SALT_Chemical Cloud Database

D12-116 TRIFLUOROACETATE SALT

Basic Information
Product Name：	D12-116 TRIFLUOROACETATE SALT
English Synonyms：	YESIRIGVAPSQ TRIFLUOROACETATE SALT ; D12-116 TRIFLUOROACETATE SALT ; L-TYROSYL-L-ALPHA-GLUTAMYL-L-SERYL-L-ISOLEUCYL-L-ARGINYL-L-ISOLEUCYLGLYCYL-L-VALYL-L-ALANYL-L-PROLYL-L-SERYL-L-GLUTAMINE TRIFLUOROACETATE SALT
MDL Number.：	MFCD23380197
H bond acceptor：	35
H bond donor：	20
Smile：	CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N.C(=O)(C(F)(F)F)O
InChi：	InChI=1S/C58H94N16O19.C2HF3O2/c1-8-29(5)45(53(88)64-25-42(79)71-44(28(3)4)54(89)65-31(7)56(91)74-23-11-13-40(74)52(87)70-38(26-75)50(85)68-37(57(92)93)18-20-41(60)78)72-49(84)35(12-10-22-63-58(61)62)67-55(90)46(30(6)9-2)73-51(86)39(27-76)69-48(83)36(19-21-43(80)81)66-47(82)34(59)24-32-14-16-33(77)17-15-32;3-2(4,5)1(6)7/h14-17,28-31,34-40,44-46,75-77H,8-13,18-27,59H2,1-7H3,(H2,60,78)(H,64,88)(H,65,89)(H,66,82)(H,67,90)(H,68,85)(H,69,83)(H,70,87)(H,71,79)(H,72,84)(H,73,86)(H,80,81)(H,92,93)(H4,61,62,63);(H,6,7)/t29-,30-,31-,34-,35-,36-,37-,38-,39-,40-,44-,45-,46-;/m0./s1
InChiKey：	InChIKey=UVRSGFIIMHKCQD-ASTQSYHGSA-N
Property
Safety information
WGK Germany：	3

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