443146 -OEChem-06201307472D 83 88 0 1 0 0 0 0 0999 V2000 11.7041 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0707 -1.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4404 -1.9027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4453 2.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 1.6594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 -2.9311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0496 -1.7760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2854 0.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3534 -0.3599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 1.0262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7213 -0.6652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3081 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0028 -0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6361 0.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9574 -0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5908 1.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0254 -1.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6588 0.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5681 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9348 -0.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2401 0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3761 -0.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3611 1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5554 1.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0521 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3393 1.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3622 -0.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3765 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -1.2358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0430 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6994 -0.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7268 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6483 2.1879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0238 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3844 -1.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4049 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 0.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 2.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0284 -1.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7247 -0.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0268 -1.5083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6171 -0.9727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1606 1.1346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4017 1.3780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5668 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9765 1.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4329 -0.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1919 -1.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6348 1.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0445 0.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5009 -1.4310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2599 -1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9588 -0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5491 -0.3377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0927 1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3337 2.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7887 0.4095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6200 1.1885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9693 2.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1399 2.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -1.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1957 1.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 2.6765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2086 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 -0.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -0.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1860 -1.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8180 -1.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4515 0.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 0.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4399 3.3459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 3.3918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 2.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 -0.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 -1.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 -1.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3133 -2.5096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 35 1 0 0 0 0 2 22 2 0 0 0 0 31 3 1 1 0 0 0 3 82 1 0 0 0 0 4 33 2 0 0 0 0 5 41 1 0 0 0 0 5 83 1 0 0 0 0 6 43 1 0 0 0 0 7 43 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 33 1 0 0 0 0 11 26 1 0 0 0 0 11 34 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 20 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 19 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 27 29 2 0 0 0 0 27 36 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 34 1 0 0 0 0 29 37 1 0 0 0 0 30 66 1 0 0 0 0 31 38 1 0 0 0 0 31 43 1 0 0 0 0 32 33 1 0 0 0 0 32 41 1 0 0 0 0 34 39 1 0 0 0 0 35 37 2 0 0 0 0 35 40 1 0 0 0 0 36 42 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 44 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 40 2 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 M CHG 1 6 -1 M END > 443146 > 1 > 1190 > 9 > 2 > 7 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWAAAAA8WLECAAAAAFix8AAAHgAACAAADGzhngYyzvMIFgCoAyXyXAKCiCAhIiAImCF+bNgNdvbE8Zuccihm5hHJ+QewwPAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA== > (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-[4-(1-piperidyl)piperidine-1-carbonyl]oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butanoate > (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methoxy]-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate > (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoate > (2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxidanylidene-2-(4-piperidin-1-ylpiperidin-1-yl)carbonyloxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxidanyl-butanoate > (2S)-2-[12-ethyl-9-keto-8-methylol-2-(4-piperidinopiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxy-butyrate > InChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/p-1/t33-/m0/s1 > DCYPPLWVDXGNOW-XIFFEERXSA-M > 1.1 > 603.281875 > C33H39N4O7- > 603.68536 > CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)CO)C(CC)(C(=O)[O-])O)OC(=O)N5CCC(CC5)N6CCCCC6 > CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC(=C(C4=O)CO)[C@@](CC)(C(=O)[O-])O)OC(=O)N5CCC(CC5)N6CCCCC6 > 147 > 603.281875 > -1 > 44 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 25 8 10 33 8 11 26 8 11 34 8 23 26 8 23 27 8 25 30 8 27 29 8 28 30 8 28 32 8 29 34 8 29 37 8 31 3 5 32 33 8 34 39 8 35 37 8 35 40 8 39 40 8 $$$$