Ketcher 01131609432D 1 1.00000 0.00000 0 33 35 0 1 0 999 V2000 1.8743 -1.5966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -2.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 -3.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 -2.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5872 -1.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 -1.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 -2.9567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0983 -2.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 -1.2943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7307 -0.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 -3.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3074 -3.9642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0630 -4.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -3.9642 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.4006 -5.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 -4.4819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 -2.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8415 -3.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8415 -2.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9852 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9852 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8415 -0.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -0.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6980 -1.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 -5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -5.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9768 -5.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5459 -5.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6894 -7.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4022 -5.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2586 -5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4022 -7.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 12 16 1 6 0 0 15 17 1 1 0 0 15 18 2 0 0 0 15 19 1 6 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 20 25 1 0 0 0 17 26 1 0 0 0 26 27 1 0 0 0 26 28 1 6 0 0 27 29 1 0 0 0 27 30 2 0 0 0 29 31 1 0 0 0 31 32 1 0 0 0 31 33 1 0 0 0 M END > CHEBI:90926 > tenofovir alafenamide > An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection. > 3 > TAF; GS-7340; GS 7340 > propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate > tenofovir alafenamide > C21H29N6O5P > 476.467 > 476.19371 > 0 > N1=CN=C2C(=C1N)N=CN2C[C@H](OC[P@](N[C@H](C(OC(C)C)=O)C)(=O)OC3=CC=CC=C3)C > InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1 > LDEKQSIMHVQZJK-CAQYMETFSA-N > 379270-37-8 > 8948831 > 379270-37-8 > DB09299 > D10428 > Tenofovir_alafenamide $$$$