441128 -OEChem-03292403282D 34 35 0 1 0 0 0 0 0999 V2000 7.2192 -0.0299 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 -1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 -1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 -0.5299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2192 1.7022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 0.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6721 0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6314 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 1.1828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6314 -0.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2192 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7192 0.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 0.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1684 1.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 1.3455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 0.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7898 2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8269 1.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 1.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6116 0.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3018 0.6241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 -2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8392 1.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9092 2.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 12 2 1 1 0 0 0 2 27 1 0 0 0 0 3 11 2 0 0 0 0 4 16 1 0 0 0 0 4 32 1 0 0 0 0 5 16 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 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 10 1 0 0 0 0 8 19 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 1 0 0 0 10 14 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 M END > 441128 > 1 > 423 > 6 > 3 > 5 > AAADceBzOABAAAAAAAAAAAAAAABYAQAAAAAAAAAABAAAAAAAAAAAHgQQCAAADTzlwAaCCANAAgiIAAXQWAAAAAAgABAACIGIAEgCFB4ggCAEUAAGtgC4EQOYAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > (5R,6S)-3-(2-aminoethylthio)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > (5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > (5R,6S)-3-(2-aminoethylsulfanyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > (5R,6S)-3-(2-azanylethylsulfanyl)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > (5R,6S)-3-(2-aminoethylthio)-6-[(1R)-1-hydroxyethyl]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid > InChI=1S/C11H16N2O4S/c1-5(14)8-6-4-7(18-3-2-12)9(11(16)17)13(6)10(8)15/h5-6,8,14H,2-4,12H2,1H3,(H,16,17)/t5-,6-,8-/m1/s1 > WKDDRNSBRWANNC-ATRFCDNQSA-N > -3 > 272.08307817 > C11H16N2O4S > 272.32 > CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN)O > C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCN)O > 129 > 272.08307817 > 0 > 18 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 2 5 8 19 6 9 20 5 $$$$