(2S)-({[(17R,20R,23S,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-penta azahexacyclo[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

More details:

• Systematic name

  (2S)-({[(17R,20R,23S,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-penta azahexacyclo[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](CC2C=CC(=CC=2)OC2C=C3C=C(C4=CC5NC(=O)C(O)(C[C@@H](NC(=O)C(=O)C6C=C(Cl)C(O)=C(Cl)C=6)C(=O)N[C@H](C6C=C(Cl)C(O)=C(Cl)C=6)C(=O)N[C@@H]3C(=O)N[C@H](C3=CC(Cl)=C(O)C(Cl)=C3)C1=O)C=5C=C4)C=2O)C(=O)N[C@@H](C1C=CC(O)=CC=1)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-MNTPPSJWSA-N

• Cite this record

  CSID:78440713, http://www.chemspider.com/Chemical-Structure.78440713.html (accessed 11:45, Apr 29, 2024)