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α-Monomethylester Pralatrexate

SZ CAT No SZ-P084007
CAS No NA
Mol.F. C24H25N7O5
Mol.Wt. 491.5
Inv. Status Under Synthesis


Chemical Name: (4S)-4-(4-(1-(6,8-diaminopyrimido[5,4-d]pyrimidin-2-yl)pent-4-yn-2-yl)benzamido)-5-methoxy-5-oxopentanoic acid

Smiles: NC1=C2C(C=NC(CC([H])(CC#C)C3=CC=C(C(N([H])[C@H](C(OC)=O)CCC(O)=O)=O)C=C3)=N2)=NC(N)=N1

Inchi: InChI=1S/C27H29N7O8/c1-3-10-27(25(40)42-12-11-41-2,13-19-30-14-18-21(33-19)22(28)34-26(29)32-18)16-6-4-15(5-7-16)23(37)31-17(24(38)39)8-9-20(35)36/h1,4-7,14,17H,8-13H2,2H3,(H,31,37)(H,35,36)(H,38,39)(H4,28,29,32,34)/t17-,27?/m0/s1