IUPAC/Chemical Name
2-((3S,6S,9S,12S,15S,18S,21S,24S,27S,32aS)-15-((1H-indol-3-yl)methyl)-9-(2-amino-2-oxoethyl)-21-(3-aminopropyl)-3,6-dibenzyl-27-(4-hydroxybenzyl)-24-isobutyl-1,4,7,10,13,16,19,22,25,28-decaoxo-18-propyldotriacontahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontin-12-yl)acetic acid
InChi Key
NCSVKCQAZJKNPW-NIHLUMFWSA-N
InChi Code
1S/C67H85N13O14/c1-4-15-46-58(85)72-47(22-13-28-68)59(86)73-48(30-38(2)3)60(87)79-54(33-41-24-26-43(81)27-25-41)67(94)80-29-14-23-55(80)66(93)78-50(32-40-18-9-6-10-19-40)62(89)74-49(31-39-16-7-5-8-17-39)61(88)76-52(35-56(69)82)64(91)77-53(36-57(83)84)65(92)75-51(63(90)71-46)34-42-37-70-45-21-12-11-20-44(42)45/h5-12,16-21,24-27,37-38,46-55,70,81H,4,13-15,22-23,28-36,68H2,1-3H3,(H2,69,82)(H,71,90)(H,72,85)(H,73,86)(H,74,89)(H,75,92)(H,76,88)(H,77,91)(H,78,93)(H,79,87)(H,83,84)/t46-,47-,48-,49+,50-,51-,52-,53-,54+,55-/m0/s1
SMILES Code
NCCC[C@@H]1NC([C@H](CCC)NC([C@@H](NC([C@H](CC(O)=O)NC([C@H](CC(N)=O)NC([C@H](Cc2ccccc2)NC([C@H](Cc3ccccc3)NC([C@H]4N(CCC4)C([C@H](Cc5ccc(O)cc5)NC([C@H](CC(C)C)NC1=O)=O)=O)=O)=O)=O)=O)=O)Cc6c[nH]c7ccccc67)=O)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
