45482342 -OEChem-05112415442D 75 74 0 1 0 0 0 0 0999 V2000 14.1244 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7224 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1855 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5464 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1664 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2785 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8985 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7190 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9220 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6086 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2286 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 26 2 0 0 0 0 3 27 2 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 30 2 0 0 0 0 20 6 1 6 0 0 0 6 26 1 0 0 0 0 6 60 1 0 0 0 0 7 27 1 0 0 0 0 7 29 1 0 0 0 0 7 70 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 22 28 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 30 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 M END > 45482342 > 1 > 534 > 5 > 2 > 20 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADSzBgAYCCALABAAIAIGQGAAAAAAAAAAAAIGIAAACQBIAgCAVAAAAFgCQAAEYiICIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl 2-[[(2S)-3-methyl-2-(2-oxohexadecanoylamino)butanoyl]amino]acetate > 2-[[(2S)-2-(1,2-dioxohexadecylamino)-3-methyl-1-oxobutyl]amino]acetic acid methyl ester > methyl 2-[[(2S)-3-methyl-2-(2-oxohexadecanoylamino)butanoyl]amino]acetate > methyl 2-[[(2S)-3-methyl-2-(2-oxohexadecanoylamino)butanoyl]amino]acetate > methyl 2-[[(2S)-3-methyl-2-(2-oxidanylidenehexadecanoylamino)butanoyl]amino]ethanoate > 2-[[(2S)-2-(2-ketohexadecanoylamino)-3-methyl-butanoyl]amino]acetic acid methyl ester > InChI=1S/C24H44N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20(27)23(29)26-22(19(2)3)24(30)25-18-21(28)31-4/h19,22H,5-18H2,1-4H3,(H,25,30)(H,26,29)/t22-/m0/s1 > YTUSFCGSHYFGGR-QFIPXVFZSA-N > 6.8 > 440.32502251 > C24H44N2O5 > 440.6 > CCCCCCCCCCCCCCC(=O)C(=O)NC(C(C)C)C(=O)NCC(=O)OC > CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)OC > 102 > 440.32502251 > 0 > 31 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 6 6 $$$$