54412674 -OEChem-05052411072D 63 65 0 1 0 0 0 0 0999 V2000 4.5981 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8100 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -4.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 2.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 2.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 2 55 1 0 0 0 0 3 20 2 0 0 0 0 4 23 2 0 0 0 0 9 5 1 6 0 0 0 5 16 2 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 24 1 0 0 0 0 7 22 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 20 1 0 0 0 0 9 37 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 38 1 0 0 0 0 12 18 2 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 2 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 32 2 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 M END > 54412674 > 1 > 669 > 7 > 1 > 12 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAACAAADCzhmgY/vpMIFgCoA7L3bACCiCk1IiAJ2CG+bNiOJvLEvZuHeSjswBPY6aeYyKCOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2R)-2-[(1-methyl-3-oxo-3-phenyl-propylidene)amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propanoic acid > (2R)-3-[4-[2-[methyl(2-pyridinyl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbutan-2-ylidene)amino]propanoic acid > (2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbutan-2-ylidene)amino]propanoic acid > (2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxo-4-phenylbutan-2-ylidene)amino]propanoic acid > (2R)-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[(4-oxidanylidene-4-phenyl-butan-2-ylidene)amino]propanoic acid > (2R)-2-[(3-keto-1-methyl-3-phenyl-propylidene)amino]-3-[4-[2-[methyl(2-pyridyl)amino]ethoxy]phenyl]propionic acid > InChI=1S/C27H29N3O4/c1-20(18-25(31)22-8-4-3-5-9-22)29-24(27(32)33)19-21-11-13-23(14-12-21)34-17-16-30(2)26-10-6-7-15-28-26/h3-15,24H,16-19H2,1-2H3,(H,32,33)/t24-/m1/s1 > VVFMFPOMPCIXPQ-XMMPIXPASA-N > 4.4 > 459.21580641 > C27H29N3O4 > 459.5 > CC(=NC(CC1=CC=C(C=C1)OCCN(C)C2=CC=CC=N2)C(=O)O)CC(=O)C3=CC=CC=C3 > CC(=N[C@H](CC1=CC=C(C=C1)OCCN(C)C2=CC=CC=N2)C(=O)O)CC(=O)C3=CC=CC=C3 > 92.1 > 459.21580641 > 0 > 34 > 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 22 26 8 25 27 8 25 28 8 26 29 8 27 31 8 28 32 8 29 33 8 30 33 8 31 34 8 32 34 8 9 5 6 7 22 8 7 30 8 $$$$