Marvin 09281214362D 29 29 0 0 0 0 999 V2000 8.4508 -11.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -11.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2799 -11.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0058 -11.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4224 -11.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8349 -11.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 -11.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0093 -12.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7219 -11.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4345 -12.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1470 -11.9178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8596 -12.3304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5722 -11.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2847 -12.3304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9973 -11.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7099 -12.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1350 -12.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8476 -11.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4345 -13.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8596 -13.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5742 -13.5680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5722 -11.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9969 -11.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5358 -10.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8979 -9.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7099 -13.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7113 -10.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5818 -12.3295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1527 -12.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 6 1 0 0 0 0 15 16 1 0 0 0 0 16 5 1 0 0 0 0 8 9 1 0 0 0 0 5 17 1 0 0 0 0 17 18 1 0 0 0 0 9 10 1 0 0 0 0 10 19 2 0 0 0 0 2 1 1 0 0 0 0 12 20 1 6 0 0 0 10 11 1 0 0 0 0 20 21 1 0 0 0 0 3 2 1 0 0 0 0 13 22 2 0 0 0 0 11 12 1 0 0 0 0 15 23 1 0 0 0 0 5 4 1 0 0 0 0 23 24 1 0 0 0 0 12 13 1 0 0 0 0 24 25 1 0 0 0 0 6 5 1 0 0 0 0 16 26 2 0 0 0 0 13 14 1 0 0 0 0 24 27 2 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 28 2 1 0 0 0 0 14 15 1 0 0 0 0 2 29 1 0 0 0 0 M END > CHEBI:66243 > TMC-86B > An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-(6-hydroxy-6-methylheptanoyl)-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces. > 3 > 6-hydroxy-N-[(2S)-3-hydroxy-1-({1-[2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl}amino)-1-oxopropan-2-yl]-6-methylheptanamide > C20H34N2O7 > 414.49320 > 414.23660 > 0 > CC(=C)CC(NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)C1(CO)CO1 > InChI=1S/C20H34N2O7/c1-13(2)9-14(17(26)20(11-24)12-29-20)22-18(27)15(10-23)21-16(25)7-5-6-8-19(3,4)28/h14-15,23-24,28H,1,5-12H2,2-4H3,(H,21,25)(H,22,27)/t14?,15-,20?/m0/s1 > UUYGJEDLSUBYHW-CHWWFWEZSA-N > 8518741 > 10695669; 10724010 $$$$