(2r)-n-[(1s,2r,19r,22s,25r,28r,40s)-2-[(2r,4s,5r,6s)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-40-[3-[(4-benzylphenyl)methoxyamino]-2-oxopropanoyl]-15-chloro-48-[(2s,3r,4s,5s,6r)-4,5-dihydroxy-3-[(2s,4s,5r,6s)-5-hydroxy-4,6-dimethyl-4-(2-oxidohydrazinyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-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-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide

Structural Information

Molecular Formula

C₈₉H₁₀₄ClN₁₂O₂₈

SMILES

C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C(C=C8)C([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NN[O-])OC1=CC=C2C=C1)O)C(=O)C(=O)CNOCC1=CC=C(C=C1)CC1=CC=CC=C1)(C)N)O

InChI

InChI=1S/C89H104ClN12O28/c1-39(2)25-54(93-7)81(115)99-70-72(109)47-20-24-59(53(90)28-47)126-61-30-48-29-60(77(61)130-87-78(75(112)74(111)62(37-103)127-87)129-65-35-89(6,101-102-121)80(114)41(4)124-65)125-50-21-17-45(18-22-50)76(128-64-34-88(5,92)79(113)40(3)123-64)71-86(120)98-69(73(110)58(107)36-94-122-38-44-15-13-43(14-16-44)26-42-11-9-8-10-12-42)52-31-49(104)32-57(106)66(52)51-27-46(19-23-56(51)105)67(83(117)100-71)97-84(118)68(48)96-82(116)55(33-63(91)108)95-85(70)119/h8-24,27-32,39-41,54-55,62,64-65,67-72,74-76,78-80,87,93-94,101-106,109,111-114H,25-26,33-38,92H2,1-7H3,(H2,91,108)(H,95,119)(H,96,116)(H,97,118)(H,98,120)(H,99,115)(H,100,117)/q-1/t40-,41-,54+,55-,62+,64-,65-,67+,68+,69-,70+,71-,72?,74+,75-,76+,78+,79-,80-,87-,88-,89-/m0/s1

InChIKey

HUHCCDRRVXGEMY-DXEMHGOVSA-N

Compound name

(2R)-N-[(1S,2R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-40-[3-[(4-benzylphenyl)methoxyamino]-2-oxopropanoyl]-15-chloro-48-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(2-oxidohydrazinyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-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-pentadecaen-19-yl]-4-methyl-2-(methylamino)pentanamide

Related CIDs

• CID 16134006