Trichormamide b

Structural Information

Molecular Formula

C₆₉H₁₁₅N₁₃O₂₀

SMILES

CCCCCCC[C@@H]1CC(=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)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC3=CC=C(C=C3)O)[C@@H](C)O)CO)[C@@H](C)CC)C)CCC(=O)N)[C@H](C(C)C)O)CCO)[C@H](C(C)C)O)[C@@H](C)CC

InChI

InChI=1S/C69H115N13O20/c1-13-16-17-18-19-21-42-33-50(89)76-51(37(8)14-2)63(96)80-55(58(91)36(6)7)65(98)72-44(29-31-83)59(92)79-54(57(90)35(4)5)66(99)73-45(27-28-49(70)88)68(101)81(12)56(38(9)15-3)67(100)75-47(34-84)61(94)78-53(40(11)86)69(102)82-30-20-22-48(82)62(95)74-46(32-41-23-25-43(87)26-24-41)60(93)77-52(39(10)85)64(97)71-42/h23-26,35-40,42,44-48,51-58,83-87,90-91H,13-22,27-34H2,1-12H3,(H2,70,88)(H,71,97)(H,72,98)(H,73,99)(H,74,95)(H,75,100)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,96)/t37-,38-,39+,40+,42+,44-,45-,46+,47+,48-,51-,52-,53-,54+,55+,56-,57-,58-/m0/s1

InChIKey

MSGPXZILSHWDOB-ZXSGCDKOSA-N

Compound name

3-[(3S,6R,9S,12S,15R,18S,21R,24S,28R,31S,34R,37S)-9,24-bis[(2S)-butan-2-yl]-28-heptyl-3,31-bis[(1R)-1-hydroxyethyl]-18-(2-hydroxyethyl)-6-(hydroxymethyl)-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-34-[(4-hydroxyphenyl)methyl]-10-methyl-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide

Related CIDs

• CID 118711962