Chem
J-GLOBAL ID：200907030803175876   Nikkaji number：J1.003.933I

Chloropeptin I

クロロペプチンI
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C61H45Cl6N7O15
Molecular formula furigana： C61-H45-CL6-N7-O15
Molecular weight： 1328.770
InChI： InChI=1S/C61H45Cl6N7O15/c1-74-43(56(82)73-48(61(87)88)25-7-9-31(75)10-8-25)13-24-5-11-32(12-6-24)89-44-22-26-14-35(51(44)77)34-4-2-3-33-30(23-68-49(33)34)21-42(69-59(85)50(76)29-19-40(66)54(80)41(67)20-29)55(81)70-46(27-15-36(62)52(78)37(63)16-27)57(83)71-45(26)58(84)72-47(60(74)86)28-17-38(64)53(79)39(65)18-28/h2-12,14-20,22-23,42-43,45-48,68,75,77-80H,13,21H2,1H3,(H,69,85)(H,70,81)(H,71,83)(H,72,84)(H,73,82)(H,87,88)/t42-,43+,45-,46-,47-,48-/m1/s1
InChI key： FRRCHJPQSWYJSH-OZICGBTHSA-N
SMILES： CN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)c3cccc5c(C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H]4C(=O)N[C@H](c4cc(Cl)c(O)c(Cl)c4)C1=O)c[nH]c35)cc2)C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1
Systematic name  (3)：
  • (2R,5R,8R,11S,26R)-N-[(R)-α-カルボキシ-4-ヒドロキシベンジル]-2,8-ビス(3,5-ジクロロ-4-ヒドロキシフェニル)-3,6,9,27-テトラオキソ-10-メチル-19-ヒドロキシ-26-(3,5-ジクロロ-4-ヒドロキシフェニルオキソアセチルアミノ)-34,18-メチリジン-13,16:5,20-ジエテノ-23,21-[1]プロペン[1]イル[3]イリデン-22,24-(エピミノメテノ)-17-オキサ-1,4,7,10-テトラアザシクロヘプタコサン-13,15,19,22-テトラエン-11-カルボアミド
  • (2R)-2-{[(18R,21R,24R,27R,30S)-21,27-ビス(3,5-ジクロロ-4-ヒドロキシフェニル)-18-[2-(3,5-ジクロロ-4-ヒドロキシフェニル)-2-オキソアセトアミド]-37-ヒドロキシ-29-メチル-19,22,25,28-テトラオキソ-2-オキサ-14,20,23,26,29-ペンタアザヘキサシクロ[30.2.2.13,7.05,24.08,13.012,16]ヘプタトリアコンタ-1(34),3,5,7(37),8(13),9,11,15,32,35-デカエン-30-イル]ホルムアミド}-2-(4-ヒドロキシフェニル)酢酸
  • (2R)-2-{[(18R,21R,24R,27R,30S)-21,27-bis(3,5-dichloro-4-hydroxyphenyl)-18-[2-(3,5-dichloro-4-hydroxyphenyl)-2-oxoacetamido]-37-hydroxy-29-methyl-19,22,25,28-tetraoxo-2-oxa-14,20,23,26,29-pentaazahexacyclo[30.2.2.13,7.05,24.08,13.012,16]heptatriaconta-1(34),3,5,7(37),8(13),9,11,15,32,35-decaen-30-yl]formamido}-2-(4-hydroxyphenyl)acetic acid
Other name (5)：
  • (2R,5R,8R,11S,26R)-N-[(R)-α-Carboxy-4-hydroxybenzyl]-2,8-bis(3,5-dichloro-4-hydroxyphenyl)-3,6,9,27-tetraoxo-10-methyl-19-hydroxy-26-(3,5-dichloro-4-hydroxyphenyloxoacetylamino)-34,18-methylidyne-13,16:5,20-dietheno-23,21-[1]propene[1]yl[3]ylidene-22,24-(epiminometheno)-17-oxa-1,4,7,10-tetraazacycloheptacosane-13,15,19,22-tetrene-11-carboxamide
  • クロロペプチンI
  • クロロペプチン
  • Chloropeptin
  • Chloropeptin I
CAS registry number： 160219-64-7
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