10553354 -OEChem-04182415122D 68 71 0 1 0 0 0 0 0999 V2000 13.2583 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 0.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7214 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4534 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 57 1 0 0 0 0 2 21 1 0 0 0 0 2 28 1 0 0 0 0 3 15 1 0 0 0 0 3 60 1 0 0 0 0 4 15 2 0 0 0 0 8 5 1 6 0 0 0 5 10 1 0 0 0 0 5 41 1 0 0 0 0 6 27 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 32 1 0 0 0 0 7 36 2 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 38 1 0 0 0 0 9 13 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 25 2 0 0 0 0 14 26 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 17 22 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 24 2 0 0 0 0 19 46 1 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 26 30 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 M END > 10553354 > 1 > 665 > 7 > 3 > 12 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQCAAADDzhmgY//pPIFgCoAjb3bACCiCkxIiAJ2KG+bJiONvLEubuHeCju0BPY+CeYyOCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid > (2S)-2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid > (2S)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-[oxidanyl(phenyl)methyl]phenyl]amino]propanoic acid > (2S)-2-[2-[hydroxy(phenyl)methyl]anilino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C30H31N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,29,32,34H,19-21H2,1H3,(H,35,36)/t27-,29?/m0/s1 > YQQOGGKMMZWNAV-BVOOQYFDSA-N > 5.9 > 497.23145648 > C30H31N3O4 > 497.6 > CN(CCOC1=CC=C(C=C1)CC(C(=O)O)NC2=CC=CC=C2C(C3=CC=CC=C3)O)C4=CC=CC=N4 > CN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC2=CC=CC=C2C(C3=CC=CC=C3)O)C4=CC=CC=N4 > 94.9 > 497.23145648 > 0 > 37 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 1 3 10 11 8 10 16 8 11 17 8 13 18 8 13 19 8 14 25 8 14 26 8 16 20 8 17 22 8 18 23 8 19 24 8 20 22 8 21 23 8 21 24 8 25 29 8 26 30 8 29 31 8 30 31 8 32 34 8 34 35 8 35 37 8 36 37 8 8 5 6 7 32 8 7 36 8 $$$$