Marvin 03171009122D 40 42 0 0 1 0 999 V2000 5.6370 -0.9386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6152 -1.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3130 -0.4693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8941 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9764 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0722 0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 0.3389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0956 -0.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 -2.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6973 -0.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -1.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2518 1.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8229 0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5374 1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 -1.7423 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 -0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0362 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3217 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -1.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 -2.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -3.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6073 -2.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 -2.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -3.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 -3.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -3.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -3.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 -3.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -4.6826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 -4.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9806 -4.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -3.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 3 8 1 1 0 0 0 9 2 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 7 6 1 0 0 0 0 7 12 1 1 0 0 0 7 13 1 0 0 0 0 17 13 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 4 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 25 24 1 0 0 0 0 26 27 2 0 0 0 0 26 25 1 0 0 0 0 30 25 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 19 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 32 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 33 39 1 0 0 0 0 33 40 1 0 0 0 0 M END > CHEBI:5163 > fosinopril > A phosphinate ester-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. It is used for the treatment of hypertension and heart failure. A pro-drug, it is hydrolysed in vivo to the corresponding phosphininc acid, fosinoprilat, which is the active metabolite. > 3 > CHEBI:288733; CHEBI:159901 > Fosinopril; (S)-4-Cyclohexyl-1-{2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid; (2S,4S)-4-cyclohexyl-1-{2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid; (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid > (4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline > fosinopril > C30H46NO7P > 563.66250 > 563.30119 > 0 > [H][C@]1(C[C@H](N(C1)C(=O)CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)C(O)=O)C1CCCCC1 > InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1 > BIDNLKIUORFRQP-FKDWWROVSA-N > 8176492 > 98048-97-6 > 98048-97-6 > DB00492 > C07016 > D07992 > LSM-6485 > 11937741; 18209565; 22729889; 8285178; 9195116 $$$$