57046717 -OEChem-03192402172D 43 45 0 1 0 0 0 0 0999 V2000 6.0690 0.3107 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 -1.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 -2.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8755 -1.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 -0.9983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 -2.2584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 -0.4983 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0690 -1.3073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1179 0.0017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1096 0.0058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1096 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4658 0.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6180 -0.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8780 -1.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3612 1.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1702 1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0657 2.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0838 1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 3.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8928 1.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7883 2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9866 0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 -0.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -0.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0617 0.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4471 -1.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 -0.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7889 -0.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 1.0690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1431 1.2768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1535 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 -2.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0894 1.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7652 0.9131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -3.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 2.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1486 0.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8099 3.8707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4592 1.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2899 3.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 12 2 0 0 0 0 3 15 1 0 0 0 0 3 37 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 9 7 1 1 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 23 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > 57046717 > 1 > 510 > 6 > 3 > 5 > AAADceB7OABAAAAAAAAAAAAAAABYAWAAAAAwAAAABYAAAAABAAAAHgQQCAAADQjl2AazCINAAgiIAiHSGAACAABgABAIiAGIAIiKMD6gkTCEYAAmpwK4iAeYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R,6R)-2-amino-6-(hydroxymethyl)-3-methyl-7-oxo-3-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-2-amino-6-(hydroxymethyl)-3-methyl-7-oxo-3-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-2-amino-6-(hydroxymethyl)-3-methyl-7-oxo-3-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-2-amino-6-(hydroxymethyl)-3-methyl-7-oxo-3-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-2-azanyl-6-(hydroxymethyl)-3-methyl-7-oxidanylidene-3-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6R)-2-amino-7-keto-3-methyl-6-methylol-3-phenethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/C16H20N2O4S/c1-15(8-7-10-5-3-2-4-6-10)16(17,14(21)22)18-12(20)11(9-19)13(18)23-15/h2-6,11,13,19H,7-9,17H2,1H3,(H,21,22)/t11-,13-,15?,16+/m1/s1 > OIFWGBNWHQWELQ-GLDIRBPYSA-N > -1.2 > 336.11437830 > C16H20N2O4S > 336.4 > CC1(C(N2C(S1)C(C2=O)CO)(C(=O)O)N)CCC3=CC=CC=C3 > CC1([C@@](N2[C@H](S1)[C@@H](C2=O)CO)(C(=O)O)N)CCC3=CC=CC=C3 > 129 > 336.11437830 > 0 > 23 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 6 11 15 5 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 9 7 5 8 14 3 $$$$