Chemical Name: 2,2'-((3S,6S,9R,15S,18R,21S,24S,30S,31R)-30-((2S)-2-((2R)-4-Amino-2-((2S)-2-((Z)-3-hydroxydodec-6-enamido)-3-(1H-indol-3-yl)propanamido)-4-oxobutanamido)-3-carboxypropanamido)-3-(2-(2-aminophenyl)-2-oxoethyl)-24-(3-aminopropyl)-6-((S)-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](C(N[C@H](CC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@H](C(NCC(N[C@H](C(N1)=O)CCCN)=O)=O)[C@H](OC([C@@H](NC([C@@H](NC([C@@H](CO)NC(CNC([C@H](CC(O)=O)NC([C@@H](C)NC([C@@H]1CC(O)=O)=O)=O)=O)=O)=O)[C@@H](C)CC(O)=O)=O)CC(C2=CC=CC=C2N)=O)=O)C)=O)=O)=O)CC3=CNC4=C3C=CC=C4)CC(O)CC/C([H])=C(CCCCC)/[H]
Inchi: InChI=1S/C40H61N9O12/c1-3-4-5-6-7-8-9-16-32(52)46-28(18-24-21-43-26-14-11-10-13-25(24)26)36(56)47-29(19-31(42)51)37(57)48-30(20-34(54)55)38(58)49-35(23(2)50)39(59)44-22-33(53)45-27(40(60)61)15-12-17-41/h10-11,13-14,21,23,27-30,35,43,50H,3-9,12,15-20,22,41H2,1-2H3,(H2,42,51)(H,44,59)(H,45,53)(H,46,52)(H,47,56)(H,48,57)(H,49,58)(H,54,55)(H,60,61)/t23-,27+,28+,29-,30+,35+/m1/s1