O1-(ABM-14 ether), O4-(Methylcarboxamide with AHPC) Butanediol

Analyte Name

O1-(ABM-14 ether), O4-(Methylcarboxamide with AHPC) Butanediol

CAS Number

1973403-00-7

Molecular Formula

C53 H56 F3 N7 O7 S2

Molecular Weight

1024.18

Accurate Mass

1023.363

SMILES

Cc1ncsc1c2ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOc4ccc(cc4)c5ccc(cc5)N6C(=S)N(C(=O)C6(C)C)c7ccc(C#N)c(c7)C(F)(F)F)C(C)(C)C)cc2

InChI

InChI=1S/C53H56F3N7O7S2/c1-32-45(72-31-59-32)36-11-9-33(10-12-36)28-58-47(66)43-26-40(64)29-61(43)48(67)46(51(2,3)4)60-44(65)30-69-23-7-8-24-70-41-21-16-35(17-22-41)34-13-18-38(19-14-34)63-50(71)62(49(68)52(63,5)6)39-20-15-37(27-57)42(25-39)53(54,55)56/h9-22,25,31,40,43,46,64H,7-8,23-24,26,28-30H2,1-6H3,(H,58,66)(H,60,65)/t40-,43+,46-/m1/s1

IUPAC

(2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]phenoxy]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat