Synonym
BMS-986238; BMS986238; BMS 986238
IUPAC/Chemical Name
(R)-1-(4-((S)-2-(2-((6S,9S,12S,18R,21S,24S,27S,30S,33S,36S,38aS,40R,44S,47S,49aS)-36-((1H-indol-3-yl)methyl)-6-(2-amino-2-oxoethyl)-33-(2-aminoethyl)-47-(aminomethyl)-24,27-dibutyl-30-((1-(carboxymethyl)-1H-indol-3-yl)methyl)-40-hydroxy-12-(4-hydroxybenzyl)-21,44-diisobutyl-9,10,25,28-tetramethyl-5,8,11,14,20,23,26,29,32,35,38,43,46,49-tetradecaoxohexatetracontahydro-1H,5H-dipyrrolo[2,1-g1:2',1'-x][1]thia[4,7,10,13,16,19,22,25,28,31,34,37,40,43]tetradecaazacyclopentatetracontine-18-carboxamido)acetamido)-2-carboxyethyl)-1H-1,2,3-triazol-1-yl)-40-carboxy-37,42-dioxo-3,6,9,12,15,18,21,24,27,30,33-undecaoxa-36,41-diazanonapentacontan-59-oic acid
InChi Key
IQRNUGWYTJONBD-RCFWDFSZSA-N
InChi Code
InChI=1S/C143H224N26O40S/c1-11-13-37-117-134(187)154-107(76-93(3)4)131(184)160-115(129(182)149-86-124(175)152-113(143(197)198)81-99-88-167(162-161-99)53-55-200-57-59-202-61-63-204-65-67-206-69-71-208-73-75-209-74-72-207-70-68-205-66-64-203-62-60-201-58-56-199-54-51-147-122(173)48-47-106(142(195)196)150-123(174)41-27-25-23-21-19-17-15-16-18-20-22-24-26-28-42-126(177)178)91-210-92-125(176)151-110(78-96-43-45-100(170)46-44-96)137(190)163(8)95(7)128(181)156-112(83-121(146)172)139(192)168-52-33-40-118(168)135(188)159-114(84-145)133(186)157-109(77-94(5)6)140(193)169-89-101(171)82-120(169)136(189)155-108(79-97-85-148-104-36-31-29-34-102(97)104)132(185)153-105(49-50-144)130(183)158-111(138(191)165(10)119(38-14-12-2)141(194)164(117)9)80-98-87-166(90-127(179)180)116-39-32-30-35-103(98)116/h29-32,34-36,39,43-46,85,87-88,93-95,101,105-115,117-120,148,170-171H,11-28,33,37-38,40-42,47-84,86,89-92,144-145H2,1-10H3,(H2,146,172)(H,147,173)(H,149,182)(H,150,174)(H,151,176)(H,152,175)(H,153,185)(H,154,187)(H,155,189)(H,156,181)(H,157,186)(H,158,183)(H,159,188)(H,160,184)(H,177,178)(H,179,180)(H,195,196)(H,197,198)/t95-,101+,105-,106+,107-,108-,109-,110-,111-,112-,113-,114-,115-,117-,118-,119-,120-/m0/s1
SMILES Code
OC(CN1C2=CC=CC=C2C(C[C@@H](C(N(C)[C@@H](CCCC)C(N(C)[C@@H](CCCC)C(N[C@@H](CC(C)C)C(N[C@H](C(NCC(N[C@@H](CC3=CN(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(CC[C@@H](NC(CCCCCCCCCCCCCCCCC(O)=O)=O)C(O)=O)=O)N=N3)C(O)=O)=O)=O)CSCC(N[C@@H](CC4=CC=C(O)C=C4)C(N(C)[C@H]5C)=O)=O)=O)=O)=O)=O)NC([C@H](CCN)NC([C@H](CC6=CNC7=CC=CC=C67)NC([C@@]([H])(N(C([C@H](CC(C)C)NC([C@H](CN)NC([C@]8([H])CCCN8C([C@H](CC(N)=O)NC5=O)=O)=O)=O)=O)C9)C[C@H]9O)=O)=O)=O)=C1)=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
