69671755 -OEChem-04252411322D 81 84 0 1 0 0 0 0 0999 V2000 14.0991 -0.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9881 -3.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3453 -2.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5172 -0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6989 -2.7014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4098 -1.5447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7419 -2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0526 -3.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3883 -1.7509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0311 -3.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6774 -2.9076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 1.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1206 -0.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 2.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1636 0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8099 0.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4528 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8314 0.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 3.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3594 -1.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4388 -3.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0320 -3.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0021 -1.6635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4088 -1.1312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7998 -4.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5575 -3.7733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3504 1.3754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0406 1.7739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0670 3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0657 3.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3754 3.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2240 1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6454 -1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8504 2.2414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5406 2.6400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6388 1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0602 -1.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5948 -3.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 3.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7680 4.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9211 4.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 1.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 1 1 1 0 0 0 1 19 1 0 0 0 0 2 17 1 0 0 0 0 2 67 1 0 0 0 0 3 17 2 0 0 0 0 4 24 2 0 0 0 0 5 36 2 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 41 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 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 18 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 18 24 1 0 0 0 0 19 29 2 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 54 1 0 0 0 0 23 31 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 33 2 0 0 0 0 25 34 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 32 2 0 0 0 0 27 58 1 0 0 0 0 28 32 1 0 0 0 0 28 36 1 0 0 0 0 29 33 1 0 0 0 0 29 59 1 0 0 0 0 30 34 2 0 0 0 0 30 60 1 0 0 0 0 31 38 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 35 66 1 0 0 0 0 37 41 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 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 > 69671755 > 1 > 950 > 7 > 1 > 12 > AAADcfB/OAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAACAAADDzhngY+zrMMHgCoA7X3XACCiCA3IiAI2CG+bNgOJvLEtbuHOSjkxhHY6Ye8zeDeIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (3R)-3-[4-[2-butyl-7-[isopropyl-(2-methoxy-2-oxo-ethyl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[[2-butyl-7-[[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-oxomethyl]-3-indolizinyl]-oxomethyl]phenoxy]-1-piperidinecarboxylic acid > (3R)-3-[4-[2-butyl-7-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[(2-methoxy-2-oxidanylidene-ethyl)-propan-2-yl-carbamoyl]indolizin-3-yl]carbonylphenoxy]piperidine-1-carboxylic acid > (3R)-3-[4-[2-butyl-7-[isopropyl-(2-keto-2-methoxy-ethyl)carbamoyl]indolizine-3-carbonyl]phenoxy]piperidine-1-carboxylic acid > InChI=1S/C32H39N3O7/c1-5-6-8-23-17-25-18-24(31(38)35(21(2)3)20-28(36)41-4)14-16-34(25)29(23)30(37)22-10-12-26(13-11-22)42-27-9-7-15-33(19-27)32(39)40/h10-14,16-18,21,27H,5-9,15,19-20H2,1-4H3,(H,39,40)/t27-/m1/s1 > SKLAQLCZUPSWJO-HHHXNRCGSA-N > 6.3 > 577.27880059 > C32H39N3O7 > 577.7 > CCCCC1=C(N2C=CC(=CC2=C1)C(=O)N(CC(=O)OC)C(C)C)C(=O)C3=CC=C(C=C3)OC4CCCN(C4)C(=O)O > CCCCC1=C(N2C=CC(=CC2=C1)C(=O)N(CC(=O)OC)C(C)C)C(=O)C3=CC=C(C=C3)O[C@@H]4CCCN(C4)C(=O)O > 118 > 577.27880059 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 1 5 16 18 8 16 22 8 19 29 8 19 30 8 21 22 8 21 26 8 25 33 8 25 34 8 26 28 8 27 32 8 28 32 8 29 33 8 30 34 8 9 18 8 9 21 8 9 27 8 $$$$