Complestatin B

More details:

• Systematic name

  (2R)-({[(15S,17R,20R,23R,26R,29S)-20,26-Bis(3,5-dichloro-4-hydroxyphenyl)-17-{[(3,5-dichloro-4-hydroxyphenyl)(oxo)acetyl]amino}-15,37-dihydroxy-28-methyl-14,18,21,24,27-pentaoxo-2-oxa-13,19,22,25,28-p entaazahexacyclo[29.2.2.1~3,7~.1~8,12~.0~5,23~.0~11,15~]heptatriaconta-1(33),3(37),4,6,8(36),9,11,31,34-nonaen-29-yl]carbonyl}amino)(4-hydroxyphenyl)acetic acid

• SMILES

  CN1[C@@H](Cc2ccc(cc2)Oc3cc4cc(c3O)-c5ccc6c(c5)NC(=O)[C@@]6(C[C@H](C(=O)N[C@@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)c7cc(c(c(c7)Cl)O)Cl)c8cc(c(c(c8)Cl)O)Cl)NC(=O)C(=O)c9cc(c(c(c9)Cl)O)Cl)O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O

• Std. InChi

  InChI=1S/C61H45Cl6N7O17/c1-74-42(54(82)73-47(59(87)88)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)91-43-21-26-13-32(49(43)77)25-6-11-33-40(20-25)69-60(89)61(33,90)22-41(68-57(85)48(76)29-18-38(66)52(80)39(67)19-29)53(81)70-45(27-14-34(62)50(78)35(63)15-27)55(83)71-44(26)56(84)72-46(58(74)86)28-16-36(64)51(79)37(65)17-28/h2-11,13-21,41-42,44-47,75,77-80,90H,12,22H2,1H3,(H,68,85)(H,69,89)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t41-,42+,44-,45-,46-,47-,61+/m1/s1

• Std. InChIKey

  NGSUYOQYYVLKJJ-ZLNBCMOASA-N

• Cite this record

  CSID:26286810, http://www.chemspider.com/Chemical-Structure.26286810.html (accessed 06:22, May 29, 2024)