Nombre del analito

10-Propargyl-10-deazaminopterin Diethyl Ester

Número CAS

146464-94-0

Fórmula molecular

C27 H31 N7 O5

Peso molecular

533.579

Masa exacta

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat