50 53 0 0 1 0 0 0 0 0999 V2000 17.8500 -18.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 -17.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6600 -17.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8500 -19.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3400 -16.1700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0900 -18.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9400 -16.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4700 -18.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6600 -20.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0400 -14.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4200 -17.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4700 -19.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6100 -18.1300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4200 -16.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6100 -19.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8700 -17.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4200 -20.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0600 -18.1300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4200 -21.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 -19.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2500 -17.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0600 -19.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2300 -22.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0400 -20.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5100 -18.1300 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.0400 -21.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 -17.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.5100 -19.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8900 -18.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 -16.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7000 -20.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8900 -19.5300 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 29.8900 -15.3300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.5100 -15.3300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.1500 -20.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1500 -16.0300 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 32.3400 -19.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4100 -16.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5200 -17.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7800 -14.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3400 -18.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5300 -20.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5300 -17.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7900 -19.5300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.7900 -18.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2900 -22.8200 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 22.8900 -22.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6900 -22.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2900 -21.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2900 -24.2200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 1 0 0 3 7 1 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 1 0 0 6 11 1 0 0 0 8 12 2 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 13 15 1 1 0 0 13 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 2 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 18 22 1 1 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 25 1 0 0 0 23 26 2 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 27 29 1 0 0 0 27 30 1 6 0 0 28 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 30 34 2 0 0 0 32 35 1 0 0 0 33 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 36 39 1 0 0 0 36 40 1 0 0 0 37 41 1 0 0 0 37 42 2 0 0 0 41 43 2 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 5 7 1 0 0 0 9 12 1 0 0 0 24 26 1 0 0 0 31 32 1 0 0 0 44 45 2 0 0 0 46 47 1 0 0 0 46 48 1 0 0 0 46 49 2 0 0 0 46 50 2 0 0 0 M END > CHEBI:5899 > indinavir sulfate > 2 > Indinavir sulfate > C36H47N5O4.H2O4S > 711.870 > 711.33018 > 0 > OS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 > InChI=1S/C36H47N5O4.H2O4S/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43;1-5(2,3)4/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45);(H2,1,2,3,4)/t28-,29+,31+,32-,33+;/m1./s1 > NUBQKPWHXMGDLP-BDEHJDMKSA-N > 157810-81-6 > C08089 > D00897 $$$$