Mrv0541 09161416232D 50 53 0 0 1 0 999 V2000 15.8725 -11.2557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8768 -12.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5907 -10.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1586 -10.8496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4582 -12.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3045 -11.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4447 -11.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0393 -13.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2790 -12.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0142 -10.8411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3089 -12.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7309 -10.8539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4447 -12.0851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4497 -14.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6893 -13.3846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0142 -10.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7280 -11.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0128 -11.2643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7265 -9.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -14.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2960 -9.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4461 -10.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -10.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4447 -9.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0084 -9.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2960 -8.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5864 -10.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1601 -11.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4418 -10.0074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 -11.2686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -10.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5821 -8.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8683 -9.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8740 -10.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8753 -10.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 -12.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8683 -8.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5878 -11.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 -11.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5836 -12.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3745 -10.9906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3620 -11.0591 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1585 -12.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3659 -12.3202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8532 -11.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 -11.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 -12.3929 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0797 -11.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 -11.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7034 -12.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 1 0 0 0 7 12 1 0 0 0 0 7 13 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 6 0 0 0 10 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 1 0 0 0 14 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 2 0 0 0 0 23 30 1 0 0 0 0 23 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 2 0 0 0 0 28 34 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 32 37 2 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 1 0 0 0 0 39 43 2 0 0 0 0 40 44 1 0 0 0 0 41 45 1 0 0 0 0 42 46 2 0 0 0 0 43 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 15 20 1 0 0 0 0 33 37 1 0 0 0 0 44 45 2 0 0 0 0 46 47 1 0 0 0 0 M END > CHEBI:45409 > ritonavir > An L-valine derivative that is L-valinamide in which α-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. > 3 > CHEBI:8873 > N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide > ritonavir > C37H48N6O5S2 > 720.94400 > 720.31276 > 0 > CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 > InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1 > NCDNCNXCDXHOMX-XGKFQTDJSA-N > 155213-67-5 > 768009 > 155213-67-5 > C07240 > D00427 > LSM-5623 > RIT > Ritonavir > 11363086; 11363184; 11363300; 11363329; 11363397; 11363517; 11996889; 24202050; 8568292; 9140265; 9278209; 9585800 $$$$