Dichloro-heptahydroxy-hexaoxo-[(4-phenylphenyl)methylamino][?]carboxylic acid

Structural Information

Molecular Formula

C₇₁H₅₅Cl₂N₇O₁₈

SMILES

C1[C@@H]2C(=O)N[C@@H](C3=CC(=CC(=C3)OC4=C(C=CC(=C4)[C@H](C(=O)N2)NCC5=CC=C(C=C5)C6=CC=CC=C6)O)O)C(=O)N[C@@H]7C8=CC(=C(C(=C8)OC9=C(C=C(C=C9)[C@H]([C@H]2C(=O)N[C@@H](C3=C(C(=CC(=C3)O)O)C3=C(C=CC(=C3)[C@H](C(=O)N2)NC7=O)O)C(=O)O)O)Cl)O)OC2=C(C=C1C=C2)Cl

InChI

InChI=1S/C71H55Cl2N7O18/c72-45-18-32-8-16-51(45)97-54-25-39-26-55(64(54)87)98-52-17-13-37(23-46(52)73)63(86)62-70(93)79-61(71(94)95)44-28-41(82)29-50(85)56(44)43-22-35(11-14-48(43)83)58(67(90)80-62)77-69(92)60(39)78-68(91)59-38-20-40(81)27-42(21-38)96-53-24-36(12-15-49(53)84)57(66(89)75-47(19-32)65(88)76-59)74-30-31-6-9-34(10-7-31)33-4-2-1-3-5-33/h1-18,20-29,47,57-63,74,81-87H,19,30H2,(H,75,89)(H,76,88)(H,77,92)(H,78,91)(H,79,93)(H,80,90)(H,94,95)/t47-,57-,58-,59+,60-,61+,62+,63-/m1/s1

InChIKey

CYCRVESUJBURJQ-PWIVXPBGSA-N

Compound name

(1S,2R,19R,22R,34S,37R,40R,52S)-5,15-dichloro-2,26,31,44,47,49,64-heptahydroxy-21,35,38,54,56,59-hexaoxo-22-[(4-phenylphenyl)methylamino]-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 16134013