Analyte Name

SD 36

CAS Number

2429877-44-9

Molecular Formula

C59 H62 F2 N9 O12 P

Molecular Weight

1158.147

Accurate Mass

1157.422

SMILES

NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C[C@H](NC(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)N12)C(=O)CCCCCC#Cc5cccc6C(=O)N(Cc56)C7CCC(=O)NC7=O)C(=O)NC(c8ccccc8)c9ccccc9

InChI

InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1

IUPAC

[[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat