Amino-dichloro-hexahydroxy-hexaoxo-[(4-phenylphenyl)methoxy][?]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)N)O)O)C(=O)N[C@@H]5C6=CC(=C(C(=C6)OC7=C(C=C(C=C7)[C@H]([C@H]8C(=O)N[C@@H](C9=C(C(=CC(=C9)O)O)C2=C(C=CC(=C2)[C@H](C(=O)N8)NC5=O)O)C(=O)O)O)Cl)OCC2=CC=C(C=C2)C2=CC=CC=C2)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)95-30-31-6-9-34(10-7-31)33-4-2-1-3-5-33)98-52-17-13-37(23-46(52)73)63(86)62-70(92)79-61(71(93)94)44-28-41(82)29-50(85)56(44)43-22-36(12-14-48(43)83)58(67(89)80-62)77-69(91)60(39)78-68(90)59-38-20-40(81)27-42(21-38)96-53-24-35(11-15-49(53)84)57(74)66(88)75-47(19-32)65(87)76-59/h1-18,20-29,47,57-63,81-86H,19,30,74H2,(H,75,88)(H,76,87)(H,77,91)(H,78,90)(H,79,92)(H,80,89)(H,93,94)/t47-,57-,58-,59+,60-,61+,62+,63-/m1/s1

InChIKey

QAYOHVWJLJDMOH-PWIVXPBGSA-N

Compound name

(1S,2R,19R,22R,34S,37R,40R,52S)-22-amino-5,15-dichloro-2,26,31,44,47,49-hexahydroxy-21,35,38,54,56,59-hexaoxo-64-[(4-phenylphenyl)methoxy]-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 16134019