Chem
J-GLOBAL ID：201007008339726924   Nikkaji number：J2.795.767F

Myxochromide S3

ミキソクロミドS3
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： C40H56N6O8
Molecular formula furigana： C40-H56-N6-O8
Molecular weight： 748.922
InChI： InChI=1S/C40H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(48)46(7)35-30(6)54-40(53)31(24-25-33(41)47)44-37(50)29(5)42-36(49)28(4)43-38(51)32(26-27(2)3)45-39(35)52/h8-23,27-32,35H,24-26H2,1-7H3,(H2,41,47)(H,42,49)(H,43,51)(H,44,50)(H,45,52)/t28-,29-,30+,31?,32?,35?/m0/s1
InChI key： OPTHDMYHZAOJMC-GHVXSROBSA-N
SMILES： CC=CC=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-2,4,6,8,10,12,14,16-オクタデカオクタエニル)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-メチルオクタデカ-2,4,6,8,10,12,14,16-オクタエンアミド
  • 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-methyloctadeca-2,4,6,8,10,12,14,16-octaenamide
Other name (3)：
  • N-Methyl-N-(1-oxo-2,4,6,8,10,12,14,16-octadecaoctaenyl)cyclo[L-Thr*-L-Leu-L-Ala-L-Ala-L-Gln-]
  • Myxochromide S3
  • ミキソクロミドS3
KEGG COMPOUND： C15716
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