Cyclic-iidlkyegpfddfd

Structural Information

Molecular Formula

C₈₄H₁₁₁N₁₅O₂₅

SMILES

CC[C@H](C)[C@H]1C(=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)NCC(=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)N1)CC(=O)O)CC3=CC=CC=C3)CC(=O)O)CC(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5)CCC(=O)O)CC6=CC=C(C=C6)O)CCCCN)CC(C)C)CC(=O)O)[C@@H](C)CC

InChI

InChI=1S/C84H111N15O25/c1-7-45(5)69-82(122)94-59(40-66(106)107)78(118)89-55(36-44(3)4)74(114)87-53(22-15-16-34-85)73(113)90-57(38-48-24-30-52(100)31-25-48)75(115)88-54(32-33-64(102)103)72(112)86-43-63(101)99-35-17-23-62(99)81(121)98-71(51-28-26-50(27-29-51)49-20-13-10-14-21-49)84(124)95-60(41-67(108)109)79(119)92-58(39-65(104)105)77(117)91-56(37-47-18-11-9-12-19-47)76(116)93-61(42-68(110)111)80(120)96-70(46(6)8-2)83(123)97-69/h9-14,18-21,24-31,44-46,53-62,69-71,100H,7-8,15-17,22-23,32-43,85H2,1-6H3,(H,86,112)(H,87,114)(H,88,115)(H,89,118)(H,90,113)(H,91,117)(H,92,119)(H,93,116)(H,94,122)(H,95,124)(H,96,120)(H,97,123)(H,98,121)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t45-,46-,53-,54+,55+,56-,57+,58-,59+,60+,61-,62+,69-,70-,71+/m0/s1

InChIKey

YPYQIPMMPQRTBU-IJDORBDDSA-N

Compound name

3-[(6R,9R,12S,15R,18R,21S,24S,27S,30S,33S,36R,39R,42R)-12-(4-aminobutyl)-30-benzyl-21,24-bis[(2S)-butan-2-yl]-18,27,33,36-tetrakis(carboxymethyl)-9-[(4-hydroxyphenyl)methyl]-15-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41-tetradecaoxo-39-(4-phenylphenyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40-tetradecazabicyclo[40.3.0]pentatetracontan-6-yl]propanoic acid

Related CIDs

• CID 71588309