(3r)-3-[3-aminopropyl-[(4-benzyloxyphenyl)methyl]-dihydroxy-tetrakis[(1r)-1-hydroxyethyl]-isopropyl-methyl-tridecaoxo-tridecyl-[?]yl]-3-hydroxy-propanamide

Structural Information

Molecular Formula

C₇₈H₁₂₂N₁₄O₂₃

SMILES

CCCCCCCCCCCCC[C@@H]1CC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N3CC[C@@H]([C@H]3C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CCCN)[C@@H](C)O)[C@@H](CC(=O)N)O)O)[C@@H](C)O)[C@@H](C)O)O)C(C)C)CC4=CC=C(C=C4)OCC5=CC=CC=C5)C)[C@@H](C)O

InChI

InChI=1S/C78H122N14O23/c1-9-10-11-12-13-14-15-16-17-18-22-26-52-37-59(101)85-62(44(5)93)72(107)82-43(4)68(103)84-54(35-48-28-30-51(31-29-48)114-41-49-24-20-19-21-25-49)69(104)87-61(42(2)3)76(111)92-40-50(97)36-55(92)70(105)88-64(46(7)95)74(109)89-65(47(8)96)77(112)91-34-32-56(98)67(91)75(110)90-66(57(99)38-58(80)100)71(106)81-39-60(102)86-63(45(6)94)73(108)83-53(27-23-33-79)78(113)115-52/h19-21,24-25,28-31,42-47,50,52-57,61-67,93-99H,9-18,22-23,26-27,32-41,79H2,1-8H3,(H2,80,100)(H,81,106)(H,82,107)(H,83,108)(H,84,103)(H,85,101)(H,86,102)(H,87,104)(H,88,105)(H,89,109)(H,90,110)/t43-,44-,45-,46-,47-,50-,52-,53+,54+,55+,56+,57-,61+,62-,63-,64-,65+,66+,67+/m1/s1

InChIKey

UISGDLLBDZHXTR-WOKAJGLWSA-N

Compound name

(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-18-[(4-phenylmethoxyphenyl)methyl]-15-propan-2-yl-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecazatricyclo[41.3.0.09,13]hexatetracontan-40-yl]-3-hydroxypropanamide

Related CIDs

• CID 485153