(1s,2r,19r,22s,25r,28r,40s)-2-[(2r,4s,5r,6s)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(2s,3r,4s,5s,6r)-3-[(2r,4s,5r,6s)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-15-chloro-n-[4-(decanoylamino)butyl]-18,32,35,37-tetrahydroxy-19-[[(2r)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxamide

Structural Information

Molecular Formula

C₈₇H₁₁₇ClN₁₂O₂₆

SMILES

CCCCCCCCCC(=O)NCCCCNC(=O)[C@@H]1C2=C(C(=CC(=C2)O)O)C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC=C(C=C5)OC6=C(C7=CC(=C6)[C@H](C(=O)N4)NC(=O)[C@@H](NC(=O)[C@@H](C(C8=CC(=C(O7)C=C8)Cl)O)NC(=O)[C@@H](CC(C)C)NC)CC(=O)N)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(C)N)O[C@H]2C[C@]([C@H]([C@@H](O2)C)O)(C)N)C(=O)N1)O

InChI

InChI=1S/C87H117ClN12O26/c1-9-10-11-12-13-14-15-18-61(106)93-27-16-17-28-94-80(114)67-50-34-47(102)35-55(104)64(50)49-30-44(21-25-54(49)103)65-81(115)100-69(84(118)98-67)73(124-62-37-86(6,90)76(110)41(4)119-62)43-19-23-48(24-20-43)121-57-32-46-33-58(74(57)126-85-75(72(109)71(108)59(39-101)123-85)125-63-38-87(7,91)77(111)42(5)120-63)122-56-26-22-45(31-51(56)88)70(107)68(99-78(112)52(92-8)29-40(2)3)83(117)95-53(36-60(89)105)79(113)96-66(46)82(116)97-65/h19-26,30-35,40-42,52-53,59,62-63,65-73,75-77,85,92,101-104,107-111H,9-18,27-29,36-39,90-91H2,1-8H3,(H2,89,105)(H,93,106)(H,94,114)(H,95,117)(H,96,113)(H,97,116)(H,98,118)(H,99,112)(H,100,115)/t41-,42-,52+,53-,59+,62-,63-,65+,66+,67-,68+,69-,70?,71+,72-,73+,75+,76-,77-,85-,86-,87-/m0/s1

InChIKey

MNQUDRAXVPIXBL-YLRBHDSFSA-N

Compound name

(1S,2R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-48-[(2S,3R,4S,5S,6R)-3-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-15-chloro-N-[4-(decanoylamino)butyl]-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3(50),4,6(49),8(48),9,11,14,16,29(45),30,32,34(39),35,37,46-pentadecaene-40-carboxamide

Related CIDs

• CID 16134003