ISISHOST03240423082D 1 1.00000 0.00000 2804 41 43 0 1 0 999 V2000 0.5345 0.5724 0.0000 C 0 0 2 0 0 0 0 0 0 0.2862 1.2793 0.0000 N 0 0 3 0 0 0 0 0 0 0.1034 -0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 1.2414 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0.8897 1.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3276 1.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0.4172 -0.7379 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6931 -0.0517 0.0000 O 0 0 0 0 0 0 0 0 0 1.4966 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0207 1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3276 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0.4172 -1.4862 0.0000 C 0 0 2 0 0 0 0 0 0 -1.0345 0.7414 0.0000 N 0 0 0 0 0 0 0 0 0 1.0724 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2345 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2034 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 1.7207 -1.4862 0.0000 N 0 0 0 0 0 0 0 0 0 1.0724 -2.6069 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8793 -1.4862 0.0000 C 0 0 3 0 0 0 0 0 0 -2.8552 0.7828 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2000 -0.3379 0.0000 O 0 0 0 0 0 0 0 0 0 1.7069 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5621 -1.7966 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8759 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 -2.8483 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 2.4172 -0.4621 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5034 1.9103 0.0000 C 0 0 0 0 0 0 0 0 0 3.0310 -0.8931 0.0000 N 0 0 3 0 0 0 0 0 0 2.4172 0.2724 0.0000 O 0 0 0 0 0 0 0 0 0 -3.5069 2.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1552 1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 3.2793 -1.6000 0.0000 C 0 0 1 0 0 0 0 0 0 3.6345 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1655 3.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8138 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 4.0138 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 2.8448 -2.2034 0.0000 C 0 0 0 0 0 0 0 0 0 4.2414 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8207 2.6517 0.0000 C 0 0 0 0 0 0 0 0 0 2.0345 -2.2103 0.0000 O 0 0 0 0 0 0 0 0 0 3.1552 -2.9103 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 6 10 1 0 0 0 6 11 2 0 0 0 12 7 1 6 0 0 10 13 1 0 0 0 12 14 1 0 0 0 12 15 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 14 18 2 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 16 21 2 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 19 24 1 0 0 0 20 25 1 0 0 0 22 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 26 29 2 0 0 0 27 30 1 0 0 0 27 31 2 0 0 0 28 32 1 0 0 0 28 33 1 0 0 0 30 34 2 0 0 0 31 35 1 0 0 0 32 36 1 0 0 0 32 37 1 1 0 0 33 38 1 0 0 0 34 39 1 0 0 0 37 40 1 0 0 0 37 41 2 0 0 0 5 9 1 0 0 0 35 39 2 0 0 0 36 38 1 0 0 0 M END > CHEBI:10097 > Z-Gly-Pro-Leu-Gly-Pro > 2 > Z-Gly-Pro-Leu-Gly-Pro > C28H39N5O8 > 573.639 > 573.27986 > 0 > CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O > InChI=1S/C28H39N5O8/c1-18(2)14-20(25(36)29-15-23(34)33-13-7-11-22(33)27(38)39)31-26(37)21-10-6-12-32(21)24(35)16-30-28(40)41-17-19-8-4-3-5-9-19/h3-5,8-9,18,20-22H,6-7,10-17H2,1-2H3,(H,29,36)(H,30,40)(H,31,37)(H,38,39)/t20-,21-,22-/m0/s1 > DGRDYZZPQWDRBB-FKBYEOEOSA-N > 2646-61-9 > C03183 $$$$