60187993 -OEChem-04232416152D 59 63 0 1 0 0 0 0 0999 V2000 10.9673 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9764 -2.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 2.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -0.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 1.7790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 -0.4760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 -1.5444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8363 0.7964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2352 0.2876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9764 -0.6784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5775 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8031 0.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3565 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1013 0.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4764 -1.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9764 -2.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 2.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8425 -2.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8425 -1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9764 -2.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2998 -2.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5036 -1.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0997 3.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6031 -2.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -3.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4349 -3.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 1.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7271 -0.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5780 -1.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3575 -0.9906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 1.1052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 0.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4998 1.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 1.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -1.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6304 -3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4530 -3.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4530 -1.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6304 -1.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3938 -2.6225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0841 -3.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8178 -2.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7864 -1.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 -3.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6366 3.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 3.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0707 -1.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -1.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8547 -3.8233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6202 -2.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -2.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 -3.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 -4.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 52 1 0 0 0 0 2 15 2 0 0 0 0 3 17 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 6 0 0 0 9 10 1 0 0 0 0 9 14 1 1 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 1 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 21 2 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 39 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > 60187993 > 1 > 885 > 4 > 2 > 5 > AAADceB7OAAAAAAAAAAAAAAAGAAAAWIAAAAsQAAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPAAgCIAiVSUACAAAAgAgAACIEIAEgIUBoAwQAUQAAGlgCIgYO+mQKOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(1-cyclopentenyl)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-5-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-12-ethanoyl-10-(hydroxymethyl)-6-oxidanylidene-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > (1R,9S,10S,11S)-12-acetyl-5-(cyclopenten-1-yl)-N-(cyclopropylmethyl)-6-keto-10-methylol-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide > InChI=1S/C23H29N3O4/c1-13(28)26-19-11-25-18(9-8-16(23(25)30)15-4-2-3-5-15)21(26)20(17(19)12-27)22(29)24-10-14-6-7-14/h4,8-9,14,17,19-21,27H,2-3,5-7,10-12H2,1H3,(H,24,29)/t17-,19-,20+,21+/m1/s1 > IJWFHZQIMKQKMU-PBASOCQRSA-N > 0.1 > 411.21580641 > C23H29N3O4 > 411.5 > CC(=O)N1C2CN3C(=CC=C(C3=O)C4=CCCC4)C1C(C2CO)C(=O)NCC5CC5 > CC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@H]1[C@H]([C@@H]2CO)C(=O)NCC5CC5 > 90 > 411.21580641 > 0 > 30 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 6 11 34 5 13 21 8 21 24 8 22 23 8 23 24 8 6 13 8 6 22 8 8 31 6 9 14 5 $$$$