Gns 271

Structural Information

Molecular Formula

C₈₄H₁₀₉N₁₇O₁₇

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CNC4=CC=CC=C43)CCC(=O)O)[C@@H](C)O)CC(C)C)CC5=CNC6=CC=CC=C65)CCCCN)[C@@H](C)O)CC7=CNC8=CC=CC=C87)[C@@H](C)O)CC9=CNC1=CC=CC=C19

InChI

InChI=1S/C84H109N17O17/c1-8-44(4)69-84(118)101-33-19-29-67(101)80(114)95-65(37-50-41-88-58-26-15-11-22-54(50)58)78(112)100-72(47(7)104)83(117)96-66(38-51-42-89-59-27-16-12-23-55(51)59)79(113)99-70(45(5)102)81(115)90-60(28-17-18-32-85)73(107)93-63(35-48-39-86-56-24-13-9-20-52(48)56)75(109)92-62(34-43(2)3)76(110)98-71(46(6)103)82(116)91-61(30-31-68(105)106)74(108)94-64(77(111)97-69)36-49-40-87-57-25-14-10-21-53(49)57/h9-16,20-27,39-47,60-67,69-72,86-89,102-104H,8,17-19,28-38,85H2,1-7H3,(H,90,115)(H,91,116)(H,92,109)(H,93,107)(H,94,108)(H,95,114)(H,96,117)(H,97,111)(H,98,110)(H,99,113)(H,100,112)(H,105,106)/t44-,45+,46+,47+,60+,61+,62-,63+,64-,65+,66-,67-,69-,70-,71+,72+/m0/s1

InChIKey

LSKZEJBMJOSXTM-ZJMPJUEDSA-N

Compound name

3-[(3S,6S,9R,12R,15S,18R,21R,24S,27S,30R,33R,36S)-21-(4-aminobutyl)-3-[(2S)-butan-2-yl]-12,24,30-tris[(1R)-1-hydroxyethyl]-6,18,27,33-tetrakis(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxo-1,4,7,10,13,16,19,22,25,28,31,34-dodecazabicyclo[34.3.0]nonatriacontan-9-yl]propanoic acid

Related CIDs

• CID 71597714