10-Propargyl-10-deazaminopterin Diethyl Ester
Product Code
TRC-P762585-50MG
CAS Number
Product Format
Neat
Molecular Formula
C27 H31 N7 O5
Molecular Weight
533.579
Product Categories
Product Information
Chemical Data
Analyte Name
10-Propargyl-10-deazaminopterin Diethyl Ester
CAS Number
146464-94-0
Molecular Formula
C27 H31 N7 O5
Molecular Weight
533.579
Accurate Mass
533.239
SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)C(CC#C)Cc2cnc3nc(N)nc(N)c3n2)C(=O)OCC
InChI
InChI=1S/C27H31N7O5/c1-4-7-18(14-19-15-30-24-22(31-19)23(28)33-27(29)34-24)16-8-10-17(11-9-16)25(36)32-20(26(37)39-6-3)12-13-21(35)38-5-2/h1,8-11,15,18,20H,5-7,12-14H2,2-3H3,(H,32,36)(H4,28,29,30,33,34)/t18?,20-/m0/s1
IUPAC
diethyl (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat