IUPAC/Chemical Name
N-((R)-6-Amino-1-(((S)-3-methyl-1-oxo-1-(((3S,6S,9S,12R,13S,16S,19S,22S,25R,28R,31S,36aS)-6,16,25-tris(4-aminobutyl)-9,31-di((S)-sec-butyl)-19,28-bis(hydroxymethyl)-3,22-diisopropyl-12-methyl-1,4,7,10,14,17,20,23,26,29,32-undecaoxotetratriacontahydro-12H-pyrrolo[2,1-l][1]oxa[4,7,10,13,16,19,22,25,28]nonaazacyclotetratriacontin-13-yl)amino)butan-2-yl)amino)-1-oxohexan-2-yl)dodecanamide
InChi Key
JKCLBPYAOFYINM-IVTJFWGQSA-N
InChi Code
InChI=1S/C79H144N16O17/c1-13-16-17-18-19-20-21-22-23-38-61(99)84-54(34-25-29-40-81)70(102)89-64(49(8)9)77(109)94-67-52(12)112-79(111)66(51(11)15-3)93-71(103)56(36-27-31-42-83)86-76(108)63(48(6)7)91-74(106)59-37-32-43-95(59)78(110)65(50(10)14-2)92-73(105)58(46-97)88-69(101)55(35-26-30-41-82)85-75(107)62(47(4)5)90-72(104)57(45-96)87-68(100)53(44-60(67)98)33-24-28-39-80/h47-59,62-67,96-97H,13-46,80-83H2,1-12H3,(H,84,99)(H,85,107)(H,86,108)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,106)(H,92,105)(H,93,103)(H,94,109)/t50-,51-,52+,53-,54+,55+,56-,57-,58+,59-,62-,63-,64-,65-,66-,67-/m0/s1
SMILES Code
CCCCCCCCCCCC(N[C@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H]1C(C[C@H](CCCCN)C(N[C@@H](CO)C(N[C@@H](C(C)C)C(N[C@H](CCCCN)C(N[C@H](CO)C(N[C@@H]([C@@H](C)CC)C(N2[C@](CCC2)([H])C(N[C@@H](C(C)C)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)CC)C(O[C@@H]1C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
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
