Chemical Name: 2,2'-((3S,6S,9R,15S,18R,21S,24S,30S,31R)-30-((S)-2-((R)-4-Amino-2-((S)-2-decanamido-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-24-(3-aminopropyl)-6-((R)-1-carboxypropan-2-yl)-9,18-bis(hydroxymethyl)-31-methyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclohentriacontane-15,21-diyl)diacetic acid
Smiles: O=C(N[C@H](CO)C(N[C@H](C(N[C@H](C(O[C@H](C)[C@@H](C(NCC(N[C@H]1CCCN)=O)=O)NC([C@H](CC(O)=O)NC([C@@H](CC(N)=O)NC([C@@H](NC(CCCCCCCCC)=O)CC2=CNC3=C2C=CC=C3)=O)=O)=O)=O)CC(C4=CC=CC=C4N)=O)=O)[C@H](C)CC(O)=O)=O)CNC([C@H](CC(O)=O)NC([C@@H](CO)NC([C@H](CC(O)=O)NC1=O)=O)=O)=O
Inchi: InChI=1S/C74H99N17O26/c1-5-6-7-8-9-10-11-12-13-24-55(95)83-46(27-40-33-78-44-22-17-15-19-41(40)44)68(110)86-47(29-54(77)94)69(111)88-50(32-61(104)105)70(112)91-63-39(4)117-74(116)51(28-53(93)42-20-14-16-21-43(42)76)89-73(115)62(37(2)26-58(98)99)90-71(113)52(36-92)84-57(97)34-79-65(107)48(30-59(100)101)85-64(106)38(3)81-67(109)49(31-60(102)103)87-66(108)45(23-18-25-75)82-56(96)35-80-72(63)114/h6-7,9-10,13-17,19-22,24,33,37-39,45-52,62-63,78,92H,5,8,11-12,18,23,25-32,34-36,75-76H2,1-4H3,(H2,77,94)(H,79,107)(H,80,114)(H,81,109)(H,82,96)(H,83,95)(H,84,97)(H,85,106)(H,86,110)(H,87,108)(H,88,111)(H,89,115)(H,90,113)(H,91,112)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/b7-6-,10-9-,24-13+/t37-,38-,39-,45+,46+,47-,48+,49+,50+,51+,52-,62?,63+/m1/s1