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0 0 1119 1 0 0 0 0 2120 1 0 0 0 0 2121 1 0 0 0 0 3122 1 1 0 0 0 4123 1 0 0 0 0 4124 1 0 0 0 0 4125 1 0 0 0 0 5126 1 6 0 0 0 6127 1 0 0 0 0 9128 1 1 0 0 0 10129 1 0 0 0 0 10130 1 0 0 0 0 11131 1 0 0 0 0 11132 1 0 0 0 0 14133 1 0 0 0 0 15134 1 0 0 0 0 18135 1 1 0 0 0 19136 1 0 0 0 0 19137 1 0 0 0 0 21138 1 0 0 0 0 21139 1 0 0 0 0 23140 1 0 0 0 0 26141 1 0 0 0 0 26142 1 0 0 0 0 27143 1 0 0 0 0 30144 1 6 0 0 0 31145 1 1 0 0 0 33146 1 0 0 0 0 33147 1 0 0 0 0 33148 1 0 0 0 0 36149 1 0 0 0 0 37150 1 0 0 0 0 40151 1 1 0 0 0 41152 1 0 0 0 0 41153 1 0 0 0 0 42154 1 0 0 0 0 42155 1 0 0 0 0 43156 1 0 0 0 0 43157 1 0 0 0 0 44158 1 0 0 0 0 44159 1 0 0 0 0 45160 1 0 0 0 0 45161 1 0 0 0 0 46162 1 0 0 0 0 49163 1 6 0 0 0 50164 1 0 0 0 0 50165 1 0 0 0 0 53166 1 0 0 0 0 54167 1 0 0 0 0 57168 1 6 0 0 0 58169 1 0 0 0 0 58170 1 0 0 0 0 58171 1 0 0 0 0 59172 1 0 0 0 0 62173 1 0 0 0 0 62174 1 0 0 0 0 64175 1 0 0 0 0 64176 1 0 0 0 0 64177 1 0 0 0 0 67178 1 1 0 0 0 68179 1 0 0 0 0 71180 1 6 0 0 0 72181 1 0 0 0 0 75182 1 6 0 0 0 76183 1 0 0 0 0 76184 1 0 0 0 0 77185 1 0 0 0 0 77186 1 0 0 0 0 80187 1 0 0 0 0 81188 1 0 0 0 0 84189 1 1 0 0 0 85190 1 0 0 0 0 85191 1 0 0 0 0 87192 1 0 0 0 0 88193 1 0 0 0 0 90194 1 0 0 0 0 91195 1 0 0 0 0 92196 1 0 0 0 0 93197 1 0 0 0 0 95198 1 0 0 0 0 98199 1 0 0 0 0 98200 1 0 0 0 0 99201 1 0 0 0 0 99202 1 0 0 0 0 100203 1 0 0 0 0 100204 1 0 0 0 0 101205 1 0 0 0 0 101206 1 0 0 0 0 102207 1 0 0 0 0 102208 1 0 0 0 0 103209 1 0 0 0 0 103210 1 0 0 0 0 104211 1 1 0 0 0 105212 1 0 0 0 0 105213 1 0 0 0 0 105214 1 0 0 0 0 106215 1 0 0 0 0 106216 1 0 0 0 0 106217 1 0 0 0 0 107218 1 6 0 0 0 108219 1 0 0 0 0 110220 1 0 0 0 0 110221 1 0 0 0 0 112222 1 1 0 0 0 113223 1 0 0 0 0 113224 1 0 0 0 0 113225 1 0 0 0 0 M END > NP0011875 > NP-MRD > [H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]1([H])C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])[H])[C@@]([H])(OC([H])([H])[H])C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)O[H])C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])[H] > InChI=1S/C72H109N17O27/c1-9-35(4)54-72(114)116-37(6)55(86-69(110)56(58(100)60(75)101)87-64(105)43(24-26-52(96)97)82-65(106)44(28-38-31-76-40-20-15-14-19-39(38)40)79-48(91)22-13-11-10-12-18-34(2)3)70(111)89(7)33-50(93)78-36(5)61(102)84-46(30-53(98)99)67(108)81-41(21-16-17-27-73)62(103)88-57(59(115-8)71(112)113)68(109)77-32-49(92)80-45(29-47(74)90)66(107)83-42(63(104)85-54)23-25-51(94)95/h14-15,19-20,31,34-37,41-46,54-59,76,100H,9-13,16-18,21-30,32-33,73H2,1-8H3,(H2,74,90)(H2,75,101)(H,77,109)(H,78,93)(H,79,91)(H,80,92)(H,81,108)(H,82,106)(H,83,107)(H,84,102)(H,85,104)(H,86,110)(H,87,105)(H,88,103)(H,94,95)(H,96,97)(H,98,99)(H,112,113)/t35-,36-,37+,41+,42-,43+,44-,45+,46-,54-,55-,56-,57-,58+,59+/m0/s1 > SSLAXQGCYJCORX-VLTLAPJDSA-N > C72H109N17O27 > 1644.756 > 1643.767881318 > 27 > 225 > 167.65758163772563 > 0 > 21 > 0 > 0 > (4R)-4-{[(1S,2R)-1-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-18-(4-aminobutyl)-3-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-15-[(R)-carboxy(methoxy)methyl]-6-(2-carboxyethyl)-21-(carboxymethyl)-24,28,31-trimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]carbamoyl}-2-carbamoyl-2-hydroxyethyl]carbamoyl}-4-[3-(1H-indol-3-yl)-2-(8-methylnonanamido)propanamido]butanoic acid > -9.71410903806622 > 1 > 3 > -3 > 3.326688110178965 > 2.8555665632490776 > 10.167767380050202 > 702.4599999999999 > 396.07930000000016 > 37 > 0 > (4R)-4-{[(1S,2R)-1-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-18-(4-aminobutyl)-3-[(2S)-butan-2-yl]-9-(carbamoylmethyl)-15-[(R)-carboxy(methoxy)methyl]-6-(2-carboxyethyl)-21-(carboxymethyl)-24,28,31-trimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontan-30-yl]carbamoyl}-2-carbamoyl-2-hydroxyethyl]carbamoyl}-4-[3-(1H-indol-3-yl)-2-(8-methylnonanamido)propanamido]butanoic acid > 0 > NP0011875 > A-54145 A $$$$