Sm5mfz7fkp

Structural Information

Molecular Formula

C₈₄H₁₃₁N₂₅O₁₇

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)N2CCC[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=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)CC4=CC=C(C=C4)O)CCCCN)CO)[C@@H](C)CC)CC5=CNC=N5)CO)CCCCN)CCCNC(=N)N)CC6=CNC7=CC=CC=C76)CCCNC(=N)N)CC(C)C

InChI

InChI=1S/C84H131N25O17/c1-7-47(5)67-79(123)103-59(37-46(3)4)71(115)96-56(23-15-33-92-83(87)88)70(114)101-61(39-50-41-94-54-20-10-9-19-53(50)54)72(116)98-58(24-16-34-93-84(89)90)82(126)108-35-17-25-65(108)77(121)99-57(22-12-14-32-86)81(125)109-36-18-26-66(109)78(122)104-63(43-110)76(120)102-62(40-51-42-91-45-95-51)74(118)107-68(48(6)8-2)80(124)105-64(44-111)75(119)97-55(21-11-13-31-85)69(113)100-60(73(117)106-67)38-49-27-29-52(112)30-28-49/h9-10,19-20,27-30,41-42,45-48,55-68,94,110-112H,7-8,11-18,21-26,31-40,43-44,85-86H2,1-6H3,(H,91,95)(H,96,115)(H,97,119)(H,98,116)(H,99,121)(H,100,113)(H,101,114)(H,102,120)(H,103,123)(H,104,122)(H,105,124)(H,106,117)(H,107,118)(H4,87,88,92)(H4,89,90,93)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-/m0/s1

InChIKey

IZEYWQHWXBTEIK-POJYALDXSA-N

Compound name

1-[3-[(3S,6S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-3,30-bis(4-aminobutyl)-24,36-bis[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-33,42-bis(hydroxymethyl)-27-[(4-hydroxyphenyl)methyl]-39-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-2,5,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1,4,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazatricyclo[43.3.0.06,10]octatetracontan-18-yl]propyl]guanidine

Related CIDs

• CID 135390812