Synonym
Buccalin A (trifluoroacetate salt); Buccalin A trifluoroacetate salt; Buccalin A; Buccalin-A; BuccalinA
IUPAC/Chemical Name
(3S,6S,9S,12S,15S,18S,27S)-3-((S)-2-(2-aminoacetamido)-4-(methylthio)butanamido)-15-benzyl-27-carbamoyl-6,18-bis(hydroxymethyl)-9-isobutyl-12,29-dimethyl-4,7,10,13,16,19,22,25-octaoxo-5,8,11,14,17,20,23,26-octaazatriacontanoic acid, trifluoroacetate salt
InChi Key
KNOFCWVPSRPVHF-KXYLNWTBSA-N
InChi Code
InChI=1S/C45H72N12O15S.C2HF3O2/c1-23(2)14-28(38(47)65)52-36(62)20-48-35(61)19-49-40(67)32(21-58)56-43(70)30(16-26-10-8-7-9-11-26)53-39(66)25(5)50-42(69)29(15-24(3)4)54-45(72)33(22-59)57-44(71)31(17-37(63)64)55-41(68)27(12-13-73-6)51-34(60)18-46;3-2(4,5)1(6)7/h7-11,23-25,27-33,58-59H,12-22,46H2,1-6H3,(H2,47,65)(H,48,61)(H,49,67)(H,50,69)(H,51,60)(H,52,62)(H,53,66)(H,54,72)(H,55,68)(H,56,70)(H,57,71)(H,63,64);(H,6,7)/t25-,27-,28-,29-,30-,31-,32-,33-;/m0./s1
SMILES Code
CC(C)C[C@@H](C(N)=O)NC(CNC(CNC([C@H](CO)NC([C@H](CC1=CC=CC=C1)NC([C@H](C)NC([C@H](CC(C)C)NC([C@H](CO)NC([C@@H](NC([C@@H](NC(CN)=O)CCSC)=O)CC(O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O=C(O)C(F)(F)F
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
