Mrv1533004171522332D 61 61 0 0 0 0 999 V2000 4.7939 6.5827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3445 5.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 5.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 4.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 4.5071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 3.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 4.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9173 4.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 5.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2918 3.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 2.9504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2169 2.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0408 2.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 0.7883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6926 0.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8688 0.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -1.3305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9922 -2.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8161 -2.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5428 -2.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9173 -3.4926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -4.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -4.9196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -4.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 -4.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5692 -5.5682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1947 -4.8331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 -4.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 -5.4817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -4.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4457 -3.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -3.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0712 -2.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5206 -1.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 -1.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3223 -1.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 0.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2959 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5469 3.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 3.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8202 3.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 4.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 -0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3403 0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2655 -1.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0893 -1.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3086 -2.2409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3616 1.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 0.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 0.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5165 0.0532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1157 3.5990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4901 2.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 4.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 39 37 1 4 0 0 0 39 40 2 0 0 0 0 41 40 1 4 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 6 47 1 0 0 0 0 47 48 1 0 0 0 0 18 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 14 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 10 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 M END > NP0230977 > NP-MRD > CCCC(C)C1OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(CO)NC(=O)CC(O)CNC(=O)C=CC=CCC(OC)C1C)C(C)C(N)=O)C(O)C(N)=O)C(C)C > InChI=1S/C39H64N8O14/c1-8-12-20(4)33-21(5)25(60-7)13-10-9-11-14-26(50)42-16-23(49)15-27(51)44-24(18-48)36(56)43-17-28(52)45-30(22(6)34(40)54)37(57)47-31(32(53)35(41)55)38(58)46-29(19(2)3)39(59)61-33/h9-11,14,19-25,29-33,48-49,53H,8,12-13,15-18H2,1-7H3,(H2,40,54)(H2,41,55)(H,42,50)(H,43,56)(H,44,51)(H,45,52)(H,46,58)(H,47,57) > ZXPXLSITCJVAOQ-UHFFFAOYSA-N > C39H64N8O14 > 868.983 > 868.454198773 > 13 > 125 > 89.53504520484614 > 0 > 11 > 0 > 0 > 2-{6-[carbamoyl(hydroxy)methyl]-19-hydroxy-15-(hydroxymethyl)-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-(pentan-2-yl)-3-(propan-2-yl)-1-oxa-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-dien-9-yl}propanamide > 0.27 > -4.1146190796666655 > -3.89 > 0 > 1 > 0 > 11.656835421322823 > 11.226471469589733 > -2.950298816577707 > 356.99999999999994 > 216.55860000000004 > 10 > 0 > 1.12e-01 g/l > 2-{6-[carbamoyl(hydroxy)methyl]-19-hydroxy-15-(hydroxymethyl)-3-isopropyl-28-methoxy-29-methyl-2,5,8,11,14,17,22-heptaoxo-30-(pentan-2-yl)-1-oxa-4,7,10,13,16,21-hexaazacyclotriaconta-23,25-dien-9-yl}propanamide > 0 > NP0230977 > 2-{5,8,11,14,17,19,22-heptahydroxy-6-[hydroxy(c-hydroxycarbonimidoyl)methyl]-15-(hydroxymethyl)-3-isopropyl-28-methoxy-29-methyl-2-oxo-30-(pentan-2-yl)-1-oxa-4,7,10,13,16,21-hexaazacyclotriaconta-4,7,10,13,16,21,23,25-octaen-9-yl}propanimidic acid $$$$