Anacyclamide a15

Structural Information

Molecular Formula

C₇₉H₁₀₇N₁₉O₂₃

SMILES

CC[C@H](C)[C@H]1C(=O)NCC(=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)NCC(=O)N[C@H](C(=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)N1)CC4=CC=CC=C4)C)CC5=CN=CN5)CC6=CC=C(C=C6)O)CCCCN)[C@@H](C)O)CC(=O)O)CCC(=O)N)CC(=O)O)CC7=CC=C(C=C7)O

InChI

InChI=1S/C79H107N19O23/c1-5-41(2)65-76(118)83-39-62(104)88-52(32-45-18-22-48(100)23-19-45)71(113)91-55(35-63(105)106)72(114)89-51(26-27-60(81)102)69(111)94-57(36-64(107)108)79(121)98-30-12-17-59(98)75(117)96-66(43(4)99)77(119)84-38-61(103)87-50(15-9-10-28-80)68(110)93-56(33-46-20-24-49(101)25-21-46)78(120)97-29-11-16-58(97)74(116)92-54(34-47-37-82-40-85-47)70(112)86-42(3)67(109)90-53(73(115)95-65)31-44-13-7-6-8-14-44/h6-8,13-14,18-25,37,40-43,50-59,65-66,99-101H,5,9-12,15-17,26-36,38-39,80H2,1-4H3,(H2,81,102)(H,82,85)(H,83,118)(H,84,119)(H,86,112)(H,87,103)(H,88,104)(H,89,114)(H,90,109)(H,91,113)(H,92,116)(H,93,110)(H,94,111)(H,95,115)(H,96,117)(H,105,106)(H,107,108)/t41-,42-,43+,50-,51-,52-,53-,54+,55-,56-,57-,58-,59-,65-,66-/m0/s1

InChIKey

UEQHWHLUDMRVAA-OOJKBKLASA-N

Compound name

2-[(3S,6S,12S,15S,21S,24S,27S,30S,36S,39S,42S,45R,48S)-6-(4-aminobutyl)-24-(3-amino-3-oxopropyl)-39-benzyl-36-[(2S)-butan-2-yl]-21-(carboxymethyl)-12-[(1R)-1-hydroxyethyl]-3,30-bis[(4-hydroxyphenyl)methyl]-45-(1H-imidazol-5-ylmethyl)-42-methyl-2,5,8,11,14,20,23,26,29,32,35,38,41,44,47-pentadecaoxo-1,4,7,10,13,19,22,25,28,31,34,37,40,43,46-pentadecazatricyclo[46.3.0.015,19]henpentacontan-27-yl]acetic acid

Related CIDs

• CID 146684859
• CID 155802130