68665668 -OEChem-05082404072D 66 69 0 1 0 0 0 0 0999 V2000 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3195 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 15 2 0 0 0 0 4 24 2 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 9 6 1 6 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 20 1 0 0 0 0 7 33 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 15 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 17 1 0 0 0 0 11 41 1 0 0 0 0 12 18 2 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 26 2 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 28 1 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 25 29 1 0 0 0 0 25 55 1 0 0 0 0 26 30 1 0 0 0 0 26 56 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 34 2 0 0 0 0 30 59 1 0 0 0 0 31 35 1 0 0 0 0 31 60 1 0 0 0 0 32 36 2 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 37 2 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > 68665668 > 1 > 705 > 7 > 1 > 12 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQAAAADCzhmgY/vpNIFACoArL3bACCiCk1IiAJ2KG+bNiOJvbEvZuHO2js8BPY6aeYyOCOIAAAAAAIAABAAAAAABAAAAAAAAAAAA== > (2-benzoylphenyl) (2S)-2-amino-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoate > (2S)-2-amino-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]propanoic acid (2-benzoylphenyl) ester > (2-benzoylphenyl) (2S)-2-amino-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate > (2-benzoylphenyl) (2S)-2-amino-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate > [2-(phenylcarbonyl)phenyl] (2S)-2-azanyl-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoate > (2S)-2-amino-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid (2-benzoylphenyl) ester > InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-32-28)19-20-36-24-16-14-22(15-17-24)21-26(31)30(35)37-27-12-6-5-11-25(27)29(34)23-9-3-2-4-10-23/h2-18,26H,19-21,31H2,1H3/t26-/m0/s1 > GAQUXQPSVDIWLV-SANMLTNESA-N > 5.2 > 495.21580641 > C30H29N3O4 > 495.6 > CN(CCOC1=CC=C(C=C1)CC(C(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)N)C4=CC=CC=N4 > CN(CCOC1=CC=C(C=C1)C[C@@H](C(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3)N)C4=CC=CC=N4 > 94.8 > 495.21580641 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 12 8 11 17 8 12 18 8 14 17 8 14 18 8 19 21 8 19 23 8 20 26 8 21 25 8 23 28 8 25 29 8 26 30 8 27 31 8 27 32 8 28 29 8 30 34 8 31 35 8 32 36 8 33 34 8 35 37 8 36 37 8 9 6 6 7 20 8 7 33 8 $$$$