70535386 -OEChem-04252410222D 61 65 0 1 0 0 0 0 0999 V2000 5.6674 3.3124 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 0.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 4.7534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3402 3.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -0.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -2.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 2.4364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 0.6290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3055 2.3802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8927 3.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0519 3.4032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2531 1.3733 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2464 1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5249 4.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 4.7854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1197 3.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -0.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -1.0658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -3.1731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2619 -3.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -4.7825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 0.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 -0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1366 2.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5896 2.9901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9846 0.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 4.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9169 5.1998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0446 5.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8724 5.1211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 5.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 4.4497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5276 0.7569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6714 -1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 4.9778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -3.0769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -4.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -3.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -5.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 -5.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 0.5524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7318 -2.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 0.8865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -1.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 -0.3193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 47 1 0 0 0 0 4 17 2 0 0 0 0 20 5 1 1 0 0 0 5 23 1 0 0 0 0 6 18 2 0 0 0 0 7 23 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 45 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 1 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 19 25 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 27 31 1 0 0 0 0 27 53 1 0 0 0 0 28 32 1 0 0 0 0 28 54 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 70535386 > 1 > 887 > 7 > 2 > 7 > AAADceB7OABAAAAAAAAAAAAAAABYAeIAAAAwYAAABYAAAGABQAAAHgQQCAAADTzl2AayCIPABgiIAiHSGAACAABgABAIiIGICIgKZj6otTmWcAAm9gG4qAeYyOCOgAAAAAAQAAAAAAAAACAAAIAADAAAAA== > (2S,5R)-6-[[3-[(1S)-indan-1-yl]oxy-3-oxo-2-phenyl-propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-1,3-dioxo-2-phenylpropyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-oxo-2-phenylpropanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-oxidanylidene-2-phenyl-propanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-[[3-[(1S)-indan-1-yl]oxy-3-keto-2-phenyl-propanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/C26H26N2O6S/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-9-4-3-5-10-15)25(33)34-17-13-12-14-8-6-7-11-16(14)17/h3-11,17-20,23H,12-13H2,1-2H3,(H,27,29)(H,31,32)/t17-,18?,19?,20-,23+/m0/s1 > OMFAUZYUUDRABJ-YEBDOEQPSA-N > 3.4 > 494.15115773 > C26H26N2O6S > 494.6 > CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)OC4CCC5=CC=CC=C45)C(=O)O)C > CC1([C@@H](N2[C@H](S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O[C@H]4CCC5=CC=CC=C45)C(=O)O)C > 138 > 494.15115773 > 0 > 35 > 3 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 36 5 12 17 5 19 23 3 24 26 8 24 27 8 25 29 8 25 30 8 26 28 8 27 31 8 28 32 8 29 33 8 30 34 8 31 32 8 33 35 8 34 35 8 20 5 5 13 9 3 $$$$