69287995 -OEChem-04232418162D 69 72 0 0 0 0 0 0 0999 V2000 2.0000 5.6988 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 4.0352 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9383 -1.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0909 1.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 3.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3357 4.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -4.1988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -1.1988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.8889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5909 1.0411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3403 -2.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -3.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3403 -3.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -5.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3403 -5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -5.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0723 0.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 0.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5723 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8324 0.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 2.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 2.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 2.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7424 3.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 3.6285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 4.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 5.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 5.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7432 -1.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 -2.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 -2.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 -2.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 -2.8065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2844 -4.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6829 -3.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 -3.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 -4.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 -5.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6694 -0.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0303 -5.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 -6.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 -6.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7623 -6.2358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -6.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3823 -5.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 0.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 0.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 3.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 2.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6408 -0.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4220 0.3883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 1.1696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4861 3.0134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6201 3.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4829 2.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9837 1.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7119 2.2727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2105 2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1013 3.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8379 4.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 5.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 33 1 0 0 0 0 2 36 1 0 0 0 0 3 19 2 0 0 0 0 4 10 1 0 0 0 0 4 32 1 0 0 0 0 5 31 1 0 0 0 0 5 67 1 0 0 0 0 6 31 2 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 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 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 46 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 27 1 0 0 0 0 24 29 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 31 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 68 1 0 0 0 0 35 36 2 0 0 0 0 35 69 1 0 0 0 0 M END > 69287995 > 1 > 768 > 7 > 2 > 9 > AAADcfB7uABEAAAAAAAAAAAAAAAAAWLEgAAsAAAAAAAAAAAB+AAAHgYUCAAADC7B3iQyjZPcEgitA6XyXgCDgKAnLzBo2Lm+btoIZnrh17OUcYhm1hnoyce82bOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]-2,4-dimethyl-pyrrol-3-yl]propanoic acid > 3-[1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-2,4-dimethyl-5-[oxo-[(1-propan-2-yl-4-piperidinyl)amino]methyl]-3-pyrrolyl]propanoic acid > 3-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,4-dimethyl-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrol-3-yl]propanoic acid > 3-[1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,4-dimethyl-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrol-3-yl]propanoic acid > 3-[1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2,4-dimethyl-5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]pyrrol-3-yl]propanoic acid > 3-[1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-[(1-isopropyl-4-piperidyl)carbamoyl]-2,4-dimethyl-pyrrol-3-yl]propionic acid > InChI=1S/C26H33ClN4O4S/c1-15(2)30-11-9-18(10-12-30)28-26(34)25-16(3)20(5-8-24(32)33)17(4)31(25)14-19-13-21(35-29-19)22-6-7-23(27)36-22/h6-7,13,15,18H,5,8-12,14H2,1-4H3,(H,28,34)(H,32,33) > PNPCFYMYOTZZAY-UHFFFAOYSA-N > 2.3 > 532.1911044 > C26H33ClN4O4S > 533.1 > CC1=C(N(C(=C1CCC(=O)O)C)CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)NC4CCN(CC4)C(C)C > CC1=C(N(C(=C1CCC(=O)O)C)CC2=NOC(=C2)C3=CC=C(S3)Cl)C(=O)NC4CCN(CC4)C(C)C > 129 > 532.1911044 > 0 > 36 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 29 8 2 33 8 2 36 8 20 21 8 21 22 8 22 23 8 29 30 8 30 32 8 33 34 8 34 35 8 35 36 8 4 10 8 4 32 8 9 20 8 9 23 8 $$$$