dTAGV-1-NEG

Name: dTAGV-1-NEG
CAS#: 2451573-87-6
Chemical Formula: C68H90N6O14S
Exact Mass: 1246.6236
Molecular Weight: 1247.556
Elemental Analysis: C, 65.47; H, 7.27; N, 6.74; O, 17.95; S, 2.57

Description: dTAGV-1-NEG is a negative control for dTAGV-1.

IUPAC/Chemical Name: (R)-3-(3,4-dimethoxyphenyl)-1-(2-(2-((7-(((S)-1-((2R,4S)-4-hydroxy-2-(((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-7-oxoheptyl)amino)-2-oxoethoxy)phenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate

InChi Key: ANLKEOUWAHUESE-SVUPEXKHSA-N

InChi Code: InChI=1S/C68H90N6O14S/c1-12-49(47-36-57(84-9)61(86-11)58(37-47)85-10)65(79)73-34-20-18-22-51(73)67(81)88-54(31-25-44-26-32-55(82-7)56(35-44)83-8)50-21-16-17-23-53(50)87-40-60(77)69-33-19-14-13-15-24-59(76)72-63(68(4,5)6)66(80)74-39-48(75)38-52(74)64(78)71-42(2)45-27-29-46(30-28-45)62-43(3)70-41-89-62/h16-17,21,23,26-30,32,35-37,41-42,48-49,51-52,54,63,75H,12-15,18-20,22,24-25,31,33-34,38-40H2,1-11H3,(H,69,77)(H,71,78)(H,72,76)/t42-,48-,49-,51-,52+,54+,63+/m0/s1

SMILES Code: C[C@@H](C1=CC=C(C2=C(C)N=CS2)C=C1)NC([C@H]3C[C@@H](CN3C([C@H](C(C)(C)C)NC(CCCCCCNC(COC4=CC=CC=C4[C@@H](CCC5=CC(OC)=C(C=C5)OC)OC([C@@H]6CCCCN6C([C@H](C7=CC(OC)=C(C(OC)=C7)OC)CC)=O)=O)=O)=O)=O)O)=O

Appearance: Solid powder