Lonodelestat

Structural Information

Molecular Formula

C₇₁H₁₁₁N₁₅O₁₉

SMILES

CCCCCCCC[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)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@@H]4C(=O)N5CCC[C@H]5C(=O)N1)CC6=CC=C(C=C6)O)CCCCN)CCC(=O)N)[C@@H](C)CC)CO)C)[C@@H](C)O)CCC(=O)O

InChI

InChI=1S/C71H111N15O19/c1-6-8-9-10-11-12-19-46-60(94)76-48(30-32-56(91)92)63(97)82-58(42(5)88)67(101)74-41(4)59(93)80-50(39-87)64(98)81-57(40(3)7-2)71(105)86-37-18-24-54(86)70(104)84-35-16-22-52(84)66(100)78-47(29-31-55(73)90)62(96)75-45(20-13-14-33-72)61(95)79-49(38-43-25-27-44(89)28-26-43)68(102)85-36-17-23-53(85)69(103)83-34-15-21-51(83)65(99)77-46/h25-28,40-42,45-54,57-58,87-89H,6-24,29-39,72H2,1-5H3,(H2,73,90)(H,74,101)(H,75,96)(H,76,94)(H,77,99)(H,78,100)(H,79,95)(H,80,93)(H,81,98)(H,82,97)(H,91,92)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-,57-,58-/m0/s1

InChIKey

JMWYNUHGKFJVIB-QGFXQWJDSA-N

Compound name

3-[(3R,9S,12S,15S,18S,24S,30S,33S,36S,39S,42S,45S,48S)-12-(4-aminobutyl)-15-(3-amino-3-oxopropyl)-30-[(2S)-butan-2-yl]-39-[(1R)-1-hydroxyethyl]-33-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-36-methyl-45-octyl-2,8,11,14,17,23,29,32,35,38,41,44,47-tridecaoxo-1,7,10,13,16,22,28,31,34,37,40,43,46-tridecazapentacyclo[46.3.0.03,7.018,22.024,28]henpentacontan-42-yl]propanoic acid

Related CIDs

• CID 71532754