Mrv1652309072213452D 63 67 0 0 0 0 999 V2000 4.9109 10.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1263 10.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 10.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 9.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 8.9698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 9.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 10.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 9.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5224 8.8835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7154 9.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4605 9.8396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1634 8.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 8.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8985 9.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4183 7.6573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 7.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 7.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2304 6.3841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 5.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 6.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 6.0095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 5.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 4.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 4.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 3.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 3.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 4.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 4.9055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 4.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0511 3.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 4.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 3.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 2.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1536 1.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 0.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 2.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 2.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 4.9918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 4.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 4.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 5.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5446 5.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 4.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3146 3.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 3.1424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 2.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 3.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 4.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 4.6348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 4.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4827 6.2180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 6.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9096 6.2928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1314 7.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8233 7.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 8.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 7.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3963 7.8658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 8.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3525 8.9277 0.0000 O 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 2 4 1 0 0 0 0 5 4 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 1 4 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 12 1 4 0 0 0 15 16 2 0 0 0 0 16 17 1 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 21 18 1 4 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 33 39 1 0 0 0 0 40 31 1 4 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 45 53 1 0 0 0 0 48 53 1 0 0 0 0 54 43 1 4 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 61 57 1 4 0 0 0 61 62 2 0 0 0 0 4 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > NP0249252 > NP-MRD > CC(C)C1N=C(O)CN=C(O)C(CO)N=C(O)C(CO)N=C(O)C2CCCN2C(=O)C(CC2=CC=C(O)C=C2)N=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(N=C1O)C(C)O > InChI=1S/C42H55N9O12/c1-21(2)34-40(61)50-35(22(3)54)41(62)45-28(16-24-17-43-27-8-5-4-7-26(24)27)37(58)46-29(15-23-10-12-25(55)13-11-23)42(63)51-14-6-9-32(51)39(60)48-31(20-53)38(59)47-30(19-52)36(57)44-18-33(56)49-34/h4-5,7-8,10-13,17,21-22,28-32,34-35,43,52-55H,6,9,14-16,18-20H2,1-3H3,(H,44,57)(H,45,62)(H,46,58)(H,47,59)(H,48,60)(H,49,56)(H,50,61) > VSHYTYFXNJETAG-UHFFFAOYSA-N > C42H55N9O12 > 877.953 > 877.397018247 > 19 > 118 > 88.40615687271642 > 0 > 12 > 0 > 0 > 1,4,7,10,13,16,19-heptahydroxy-15-(1-hydroxyethyl)-3,6-bis(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-18-[(1H-indol-3-yl)methyl]-12-(propan-2-yl)-3H,6H,9H,12H,15H,18H,21H,22H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one > 2.4201679983333317 > 1 > 5 > 0 > 3.1364313267141433 > 2.6643693083952305 > -5.958343579805377 > 345.1500000000001 > 225.57719999999998 > 8 > 0 > 1,4,7,10,13,16,19-heptahydroxy-15-(1-hydroxyethyl)-3,6-bis(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-18-(1H-indol-3-ylmethyl)-12-isopropyl-3H,6H,9H,12H,15H,18H,21H,24H,25H,26H,26aH-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one > 0 > NP0249252 > 1,4,7,10,13,16,19-heptahydroxy-15-(1-hydroxyethyl)-3,6-bis(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-18-(1h-indol-3-ylmethyl)-12-isopropyl-3h,6h,9h,12h,15h,18h,21h,24h,25h,26h,26ah-pyrrolo[1,2-a]1,4,7,10,13,16,19,22-octaazacyclotetracosan-22-one $$$$