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)-24-(4-aminobutyl)-3-(2-(2-aminophenyl)-2-oxoethyl)-6-((R)-1-carboxypropan-2-yl)-9-(hydroxymethyl)-18,31-dimethyl-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]1CCCCN)=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](C)NC([C@H](CC(O)=O)NC1=O)=O)=O)=O
Inchi: InChI=1S/C72H103N17O27/c1-5-6-7-8-9-10-11-22-53(93)82-45(25-38-31-77-43-20-15-13-17-39(38)43)65(107)85-46(28-52(76)92)66(108)86-48(30-59(102)103)67(109)89-61(69(111)79-33-54(94)81-44(71(113)114)21-16-23-73)37(4)116-72(115)49(27-51(91)40-18-12-14-19-41(40)74)87-70(112)60(35(2)24-56(96)97)88-68(110)50(34-90)83-55(95)32-78-64(106)47(29-58(100)101)84-62(104)36(3)80-63(105)42(75)26-57(98)99/h12-15,17-20,31,35-37,42,44-50,60-61,77,90H,5-11,16,21-30,32-34,73-75H2,1-4H3,(H2,76,92)(H,78,106)(H,79,111)(H,80,105)(H,81,94)(H,82,93)(H,83,95)(H,84,104)(H,85,107)(H,86,108)(H,87,112)(H,88,110)(H,89,109)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,113,114)/t35-,36-,37-,42+,44+,45+,46-,47+,48+,49+,50-,60+,61+/m1/s1