657098 -OEChem-10051720123D 94 98 0 1 0 0 0 0 0999 V2000 7.8663 3.5002 0.3942 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -4.3906 -1.4436 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.8224 -2.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6392 -1.6921 2.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3838 -4.5239 2.7068 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0466 4.3221 1.1159 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3454 1.9669 0.4843 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 3.9843 -0.9488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -2.1772 -1.4548 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 -3.1945 0.2858 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -1.2554 1.4999 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 -6.0479 3.7335 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0574 -3.5028 -1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -3.6602 -3.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0505 -4.5928 -1.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -3.6530 -4.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 -4.6200 -2.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.7354 -3.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 -3.7077 -1.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -0.9664 -1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 -3.3519 1.2283 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8145 0.2216 -1.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 0.3601 0.2446 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9421 1.2153 1.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0146 -4.4953 2.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -2.0293 1.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -0.0428 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 1.9444 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5291 0.9705 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 0.8937 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 1.2020 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.3069 0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 2.2363 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -4.9962 2.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 2.5349 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1615 0.6387 1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4079 2.6359 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 3.0121 -1.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 3.3045 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2762 1.4082 1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3491 2.7412 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8609 3.8396 -1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3009 1.8674 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 4.1960 -2.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 3.5641 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9680 4.6083 -1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1935 4.2395 -0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6215 2.2797 0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0670 3.4634 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -2.8768 -3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2993 -4.6087 -3.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -4.4517 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -5.5793 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -2.6708 -4.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -3.8140 -5.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9633 -5.4643 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9276 -3.7119 -1.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 -5.7226 -3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 -4.6683 -4.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5106 -2.1506 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -2.6974 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 -3.5576 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 0.0784 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 1.1274 -1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -0.6429 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6097 1.9099 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -5.3461 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2795 -4.2114 2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 0.1299 3.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9676 -0.2581 2.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 2.0908 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 2.9615 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7821 0.5370 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3044 0.1973 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.9632 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -1.6105 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 1.2724 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 2.9912 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1199 -0.3983 1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 2.7064 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 4.3412 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0818 0.9573 2.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7455 -6.4868 4.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 -6.4219 3.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0113 0.9458 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 4.7979 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2947 5.5367 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 3.2410 2.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 4.6120 1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5633 5.1613 -1.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3014 1.6789 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0950 3.7844 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 4.4609 0.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0564 1.6518 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 45 1 0 0 0 0 2 19 2 0 0 0 0 3 20 2 0 0 0 0 4 26 2 0 0 0 0 5 34 2 0 0 0 0 6 93 1 0 0 0 0 7 94 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 9 60 1 0 0 0 0 10 19 1 0 0 0 0 10 21 1 0 0 0 0 10 61 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 76 1 0 0 0 0 12 34 1 0 0 0 0 12 83 1 0 0 0 0 12 84 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 62 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 65 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 66 1 0 0 0 0 25 34 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 32 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 33 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 32 2 0 0 0 0 30 75 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 77 1 0 0 0 0 33 37 1 0 0 0 0 33 38 2 0 0 0 0 35 39 1 0 0 0 0 35 78 1 0 0 0 0 36 40 2 0 0 0 0 36 79 1 0 0 0 0 37 42 1 0 0 0 0 37 43 2 0 0 0 0 38 44 1 0 0 0 0 38 80 1 0 0 0 0 39 41 2 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 41 45 1 0 0 0 0 42 46 1 0 0 0 0 42 47 2 0 0 0 0 43 48 1 0 0 0 0 43 85 1 0 0 0 0 44 46 2 0 0 0 0 44 86 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 87 1 0 0 0 0 47 49 1 0 0 0 0 47 90 1 0 0 0 0 48 49 2 0 0 0 0 48 91 1 0 0 0 0 49 92 1 0 0 0 0 M END > DB03276 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RHYFMOCFCFUTNH-GZNVFMSSSA-N/SDF?record_type=3d > NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@H](\C=C\C[C@H](CNC1=O)CC1=CC=CC2=CC=CC=C12)C1=CC=C(C=C1)CP(O)(O)=O > InChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1 > RHYFMOCFCFUTNH-GZNVFMSSSA-N > C37H45N4O7P > 688.7496 > 688.302586326 > 7 > 94 > -1.1059639588084236 > 70.12720086653754 > 0 > 6 > 0 > 0 > ({4-[(10R,11E,14S,18S)-18-(carbamoylmethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]phenyl}methyl)phosphonic acid > 2.54 > 2.5796857103333326 > -5.92 > 1 > -1 > 5 > -1 > 8.227323521595094 > 1.7343551261055408 > -0.9420835776804517 > 187.91999999999996 > 186.90879999999996 > 7 > 0 > 8.25e-04 g/l > biotin > 0 $$$$