69671753 -OEChem-05072417012D 81 84 0 1 0 0 0 0 0999 V2000 14.9651 -0.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8541 -3.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2113 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3833 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5650 -2.7014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2758 -1.5447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6080 -2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9186 -3.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2543 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8971 -3.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5435 -2.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9866 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8241 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6760 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3188 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6975 0.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3403 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3241 3.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6691 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2254 -1.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0610 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3048 -3.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8981 -3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8681 -1.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2749 -1.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6659 -4.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4235 -3.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2164 1.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9067 1.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9331 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9317 3.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2414 3.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.9609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 1.5830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 3.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 4.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 4.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0900 1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5114 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7164 2.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4067 2.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5048 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9262 -1.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4608 -3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8610 3.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6341 4.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7871 4.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.4490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 75 1 0 0 0 0 3 18 2 0 0 0 0 4 26 2 0 0 0 0 5 35 2 0 0 0 0 6 40 1 0 0 0 0 6 42 1 0 0 0 0 7 40 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 30 1 0 0 0 0 10 17 1 0 0 0 0 10 35 1 0 0 0 0 10 60 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 17 25 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 19 26 1 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 33 2 0 0 0 0 22 34 1 0 0 0 0 23 54 1 0 0 0 0 24 37 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 40 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 35 1 0 0 0 0 27 36 1 0 0 0 0 28 59 1 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 36 2 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 38 1 0 0 0 0 33 68 1 0 0 0 0 34 39 2 0 0 0 0 34 69 1 0 0 0 0 36 70 1 0 0 0 0 37 41 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 74 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 M END > 69671753 > 1 > 964 > 7 > 2 > 12 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAQCAAADJzhngY+zrPMHgCoA7X3XACCiCA3IiAI2CG+bNgOJvrEtbuHOSjm1hHY6Ye8zeDeIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (3R)-3-[4-[2-butyl-7-[(3-methoxy-1,1-dimethyl-3-oxo-propyl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[[2-butyl-7-[[(4-methoxy-2-methyl-4-oxobutan-2-yl)amino]-oxomethyl]-3-indolizinyl]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid > (3R)-3-[4-[2-butyl-7-[(4-methoxy-2-methyl-4-oxobutan-2-yl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[(4-methoxy-2-methyl-4-oxobutan-2-yl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[(4-methoxy-2-methyl-4-oxidanylidene-butan-2-yl)carbamoyl]indolizin-3-yl]carbonylphenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[(3-keto-3-methoxy-1,1-dimethyl-propyl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > InChI=1S/C32H39N3O7/c1-5-6-8-22-17-24-18-23(30(38)33-32(2,3)19-27(36)41-4)14-16-35(24)28(22)29(37)21-10-12-25(13-11-21)42-26-9-7-15-34(20-26)31(39)40/h10-14,16-18,26H,5-9,15,19-20H2,1-4H3,(H,33,38)(H,39,40)/t26-/m1/s1 > BNARBDAPASZYFY-AREMUKBSSA-N > 5.9 > 577.27880059 > C32H39N3O7 > 577.7 > CCCCC1=C(N2C=CC(=CC2=C1)C(=O)NC(C)(C)CC(=O)OC)C(=O)C3=CC=C(C=C3)OC4CCCN(C4)C(=O)O > CCCCC1=C(N2C=CC(=CC2=C1)C(=O)NC(C)(C)CC(=O)OC)C(=O)C3=CC=C(C=C3)O[C@@H]4CCCN(C4)C(=O)O > 127 > 577.27880059 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 16 19 8 16 23 8 20 23 8 20 28 8 22 33 8 22 34 8 27 28 8 27 36 8 29 38 8 29 39 8 30 36 8 33 38 8 34 39 8 9 19 8 9 20 8 9 30 8 $$$$