Chem
J-GLOBAL ID：200907026914251787   Nikkaji number：J821.234A

Motuporin

モツポリン
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： C40H57N5O10
Molecular formula furigana： C40-H57-N5-O10
Molecular weight： 767.921
InChI： InChI=1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10?/t24-,25-,26-,28?,29+,31-,33?,34?/m0/s1
InChI key： GIRIHYQVGVTBIP-QQAPQGPTSA-N
SMILES： CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(\C)/C=C/C1NC(=O)C(NC(=O)[C@@H](C)C(NC(=O)C(=CC)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)C(C)C
Systematic name  (3)：
  • N,3-ジメチルシクロ[Dha-[(3S)-3-メチル-D-βAsp-]-L-Val-[(2S,3S)-2-メチル-3-[(1E,3E,5S,6S)-3,5-ジメチル-6-メトキシ-7-フェニルヘプタ-1,3-ジエニル]-βAla-]-D-γGlu-]
  • (5R,6S,9S,12S,13S,16R)-2-エチリデン-12-[(1E,3E,5S,6S)-6-メトキシ-3,5-ジメチル-7-フェニルヘプタ-1,3-ジエン-1-イル]-1,6,13-トリメチル-3,7,10,14,19-ペンタオキソ-9-(プロパン-2-イル)-1,4,8,11,15-ペンタアザシクロノナデカン-5,16-ジカルボン酸
  • (5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-(propan-2-yl)-1,4,8,11,15-pentaazacyclononadecane-5,16-dicarboxylic acid
Other name (3)：
  • モツポリン
  • Motuporin
  • N,3-Dimethylcyclo[Dha-[(3S)-3-methyl-D-βAsp-]-L-Val-[(2S,3S)-2-methyl-3-[(1E,3E,5S,6S)-3,5-dimethyl-6-methoxy-7-phenylhepta-1,3-dienyl]-βAla-]-D-γGlu-]
CAS registry number： 141672-08-4
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