170364 -OEChem-05102401522D 71 75 0 1 0 0 0 0 0999 V2000 10.6603 -0.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 4.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 3.0526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7173 3.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 4.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 4.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7662 2.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2073 5.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6086 4.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7951 6.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1964 5.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7896 6.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -2.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -2.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 0.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 1.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 0.8571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -6.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -6.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5746 3.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1766 2.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9578 2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5907 5.7910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8608 4.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5429 7.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8130 5.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1541 6.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 25 1 0 0 0 0 2 28 1 0 0 0 0 3 14 1 0 0 0 0 3 61 1 0 0 0 0 4 14 2 0 0 0 0 5 24 2 0 0 0 0 8 6 1 1 0 0 0 6 11 1 0 0 0 0 6 45 1 0 0 0 0 7 22 1 0 0 0 0 7 28 2 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 11 21 2 0 0 0 0 12 18 1 0 0 0 0 12 46 1 0 0 0 0 13 19 2 0 0 0 0 13 47 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 26 1 0 0 0 0 21 54 1 0 0 0 0 22 25 2 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 29 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 36 1 0 0 0 0 32 62 1 0 0 0 0 33 37 2 0 0 0 0 33 63 1 0 0 0 0 34 38 1 0 0 0 0 34 64 1 0 0 0 0 35 39 2 0 0 0 0 35 65 1 0 0 0 0 36 40 2 0 0 0 0 36 66 1 0 0 0 0 37 40 1 0 0 0 0 37 67 1 0 0 0 0 38 41 2 0 0 0 0 38 68 1 0 0 0 0 39 41 1 0 0 0 0 39 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 M END > 170364 > 1 > 818 > 7 > 2 > 12 > AAADceB/OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAAAB1AAAHgAQCAAADCzhngYyzpLIFkCoA6XyXASCiCAvYiAImKG/bNgOJrrEtbuPeajm1BHY6cfayOCOIAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid > (2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid > (2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propionic acid > InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1 > ZZCHHVUQYRMYLW-HKBQPEDESA-N > 7.8 > 546.21547206 > C34H30N2O5 > 546.6 > CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CC(C(=O)O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5 > CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)C[C@@H](C(=O)O)NC4=CC=CC=C4C(=O)C5=CC=CC=C5 > 102 > 546.21547206 > 0 > 41 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 13 8 11 15 8 11 21 8 12 18 8 13 19 8 15 23 8 16 18 8 16 19 8 2 25 8 2 28 8 21 26 8 22 25 8 23 27 8 26 27 8 29 32 8 29 33 8 30 34 8 30 35 8 32 36 8 33 37 8 34 38 8 35 39 8 36 40 8 37 40 8 38 41 8 39 41 8 8 6 5 7 22 8 7 28 8 $$$$