Chem
J-GLOBAL ID：200907040857282517   Nikkaji number：J228.046I

Orienticin C

オリエンチシンC
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： C73H90N10O26
Molecular formula furigana： C73-H90-N10-O26
Molecular weight： 1523.567
InChI： InChI=1S/C73H90N10O26/c1-28(2)18-40(77-7)64(94)82-54-56(89)31-8-13-36(14-9-31)104-44-20-34-21-45(60(44)109-71-61(58(91)57(90)46(27-84)106-71)108-49-26-73(6,76)63(93)30(4)103-49)105-37-15-10-32(11-16-37)59(107-48-25-72(5,75)62(92)29(3)102-48)55-69(99)81-53(70(100)101)39-22-35(85)23-43(87)50(39)38-19-33(12-17-42(38)86)51(66(96)83-55)80-67(97)52(34)79-65(95)41(24-47(74)88)78-68(54)98/h8-17,19-23,28-30,40-41,46,48-49,51-59,61-63,71,77,84-87,89-93H,18,24-27,75-76H2,1-7H3,(H2,74,88)(H,78,98)(H,79,95)(H,80,97)(H,81,99)(H,82,94)(H,83,96)(H,100,101)/t29-,30-,40+,41-,46+,48-,49-,51+,52+,53?,54+,55-,56+,57+,58-,59+,61+,62-,63-,71-,72-,73-/m0/s1
InChI key： YIFROCWHIYVMGP-WEYWKTBSSA-N
SMILES： CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(=O)N)NC1=O)c1ccc(O)c(c1)c1c(O)cc(O)cc1[C@H](NC5=O)C(=O)O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)cc2
Systematic name  (3)：
  • (4′′R)-22-O-(3-アミノ-3-C-メチル-2,3,6-トリデオキシ-α-L-arabino-ヘキソピラノシル)-10,19-ジデクロロバンコマイシン
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,5R,6S)-4-アミノ-5-ヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5R,6S)-4-アミノ-5-ヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-22-(カルバモイルメチル)-18,32,35,37-テトラヒドロキシ-19-[(2R)-4-メチル-2-(メチルアミノ)ペンタンアミド]-20,23,26,42,44-ペンタオキソ-7,13-ジオキサ-21,24,27,41,43-ペンタアザオクタシクロ[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]ペンタコンタ-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-ペンタデカエン-40-カルボン酸
  • (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-18,32,35,37-tetrahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
Other name (9)：
  • オリエンチシンC
  • Orienticin C
  • (4′′R)-22-O-(3-Amino-3-C-methyl-2,3,6-trideoxy-α-L-arabino-hexopyranosyl)-10,19-didechlorovancomycin
  • デクロロエレモマイシン
  • Dechloroeremomycin
Show all
CAS registry number： 112848-47-2
Application (1)：
peptide antibiotics
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