Chem
J-GLOBAL ID：201007051303544598   Nikkaji number：J2.795.766H

Myxochromide S2

ミキソクロミドS2
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： C39H56N6O8
Molecular formula furigana： C39-H56-N6-O8
Molecular weight： 736.911
InChI： InChI=1S/C39H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(47)45(7)34-29(6)53-39(52)30(23-24-32(40)46)43-36(49)28(5)41-35(48)27(4)42-37(50)31(25-26(2)3)44-38(34)51/h9-22,26-31,34H,8,23-25H2,1-7H3,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/t27-,28-,29+,30?,31?,34?/m0/s1
InChI key： XDRGEWSCPMOTER-WFTLBYLKSA-N
SMILES： CCC=CC=CC=CC=CC=CC=CC=CC(=O)N(C)C1[C@@H](C)OC(=O)C(CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C(CC(C)C)NC1=O
Systematic name  (3)：
  • N-メチル-N-(1-オキソ-2,4,6,8,10,12,14-ヘプタデカヘプタエニル)シクロ[L-Thr*-L-Leu-L-Ala-L-Ala-L-Gln-]
  • N-[(3S,6S,9S,12S,15S,16R)-3-(2-カルバモイルエチル)-6,9,16-トリメチル-12-(2-メチルプロピル)-2,5,8,11,14-ペンタオキソ-1-オキサ-4,7,10,13-テトラアザシクロヘキサデカン-15-イル]-N-メチルヘプタデカ-2,4,6,8,10,12,14-ヘプタエンアミド
  • N-[(3S,6S,9S,12S,15S,16R)-3-(2-carbamoylethyl)-6,9,16-trimethyl-12-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-15-yl]-N-methylheptadeca-2,4,6,8,10,12,14-heptaenamide
Other name (3)：
  • N-Methyl-N-(1-oxo-2,4,6,8,10,12,14-heptadecaheptaenyl)cyclo[L-Thr*-L-Leu-L-Ala-L-Ala-L-Gln-]
  • Myxochromide S2
  • ミキソクロミドS2
KEGG COMPOUND： C15715
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