Amino-dichloro-n-[3-(dimethylamino)propyl]-heptahydroxy-hexaoxo-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl][?]carboxamide

Structural Information

Molecular Formula

C₈₁H₇₇Cl₂N₁₁O₁₇

SMILES

CN(C)CCCNC(=O)[C@@H]1C2=CC(=C(C(=C2C3=C(C=CC(=C3)[C@@H]4C(=O)N[C@@H]([C@@H](C5=CC(=C(C=C5)OC6=CC7=CC(=C6O)OC8=C(C=C(C[C@@H]9C(=O)N[C@@H](C2=CC(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N9)N)O)O)C(=O)N[C@H]7C(=O)N4)C=C8)Cl)Cl)O)C(=O)N1)O)O)CN1CCN(CC1)CC1=CC=C(C=C1)C1=CC=CC=C1)O

InChI

InChI=1S/C81H77Cl2N11O17/c1-92(2)22-6-21-85-77(104)70-52-37-59(98)53(39-94-25-23-93(24-26-94)38-40-9-12-43(13-10-40)42-7-4-3-5-8-42)73(100)65(52)51-31-45(15-17-57(51)96)67-78(105)91-71(81(108)90-70)72(99)46-16-20-61(55(83)32-46)111-64-35-48-34-63(74(64)101)110-60-19-11-41(27-54(60)82)28-56-75(102)87-68(79(106)89-69(48)80(107)88-67)47-29-49(95)36-50(30-47)109-62-33-44(14-18-58(62)97)66(84)76(103)86-56/h3-5,7-20,27,29-37,56,66-72,95-101H,6,21-26,28,38-39,84H2,1-2H3,(H,85,104)(H,86,103)(H,87,102)(H,88,107)(H,89,106)(H,90,108)(H,91,105)/t56-,66-,67-,68+,69-,70+,71+,72-/m1/s1

InChIKey

KRYNGBCPPMLWGG-GRPFKRQCSA-N

Compound name

(1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-N-[3-(dimethylamino)propyl]-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-48-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]-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),42,44,46,48,50,62,65-henicosaene-52-carboxamide

Related CIDs

• CID 16133729