[(4-butylphenyl)methoxyamino]-[2-[(4-butylphenyl)methoxyamino]ethoxy]-dichloro-hexahydroxy-hexaoxo-[?]carboxylic acid

Structural Information

Molecular Formula

C₈₂H₇₈Cl₂N₈O₂₀

SMILES

CCCCC1=CC=C(C=C1)CONCCOC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O)C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1)OC1=C(C=CC(=C1)[C@H](C(=O)N[C@H](CC1=CC(=C(O3)C=C1)Cl)C(=O)N9)NOCC1=CC=C(C=C1)CCCC)O)O)O)C(=O)O)O)Cl

InChI

InChI=1S/C82H78Cl2N8O20/c1-3-5-7-41-9-13-43(14-10-41)39-108-85-25-26-107-75-65-34-50-35-66(75)112-63-24-20-48(32-57(63)84)74(98)73-81(104)90-72(82(105)106)55-37-52(94)38-61(97)67(55)54-31-46(18-21-59(54)95)68(77(100)91-73)88-79(102)70(50)89-78(101)69-49-29-51(93)36-53(30-49)110-64-33-47(19-22-60(64)96)71(92-109-40-44-15-11-42(12-16-44)8-6-4-2)80(103)86-58(76(99)87-69)28-45-17-23-62(111-65)56(83)27-45/h9-24,27,29-38,58,68-74,85,92-98H,3-8,25-26,28,39-40H2,1-2H3,(H,86,103)(H,87,99)(H,88,102)(H,89,101)(H,90,104)(H,91,100)(H,105,106)/t58-,68-,69+,70-,71-,72+,73+,74-/m1/s1

InChIKey

STHATPCFHAEJOS-COWXXBTLSA-N

Compound name

(1S,2R,19R,22R,34S,37R,40R,52S)-22-[(4-butylphenyl)methoxyamino]-64-[2-[(4-butylphenyl)methoxyamino]ethoxy]-5,15-dichloro-2,26,31,44,47,49-hexahydroxy-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid

Related CIDs

• CID 16134020