Chem
J-GLOBAL ID：200907085865100650   Nikkaji number：J2.771.574E

Zizyphine F

ジジフィンF
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： C32H47N5O6
Molecular formula furigana： C32-H47-N5-O6
Molecular weight： 597.757
InChI： InChI=1S/C32H47N5O6/c1-7-19(3)26(34-30(40)27(35(5)6)20(4)8-2)31(41)37-17-14-25-28(37)32(42)36-16-9-10-23(36)29(39)33-15-13-21-18-22(43-25)11-12-24(21)38/h11-13,15,18-20,23,25-28,38H,7-10,14,16-17H2,1-6H3,(H,33,39)(H,34,40)/t19-,20-,23-,25?,26-,27-,28-/m0/s1
InChI key： GZDWFNXEHGKTNE-DXGORALDSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C)C(=O)N1CCC2Oc3ccc(O)c(c3)C=CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]12
Systematic name  (3)：
  • (2S,3S)-N-[(1S,2S)-1-[[(13aS,18aS)-3,3a,12,13,13a,14,15,16,18,18a-デカヒドロ-8-ヒドロキシ-13,18-ジオキソ-5,9-メテノ-9H-ジピロロ[3,2-b:1′,2′-e][1,5,8]オキサジアザシクロペンタデシン-1(2H)-イル]カルボニル]-2-メチルブチル]-2-(ジメチルアミノ)-3-メチルペンタンアミド
  • (2S,3S)-2-(ジメチルアミノ)-N-[(2S,3S)-1-[(7S,13S)-19-ヒドロキシ-8,14-ジオキソ-2-オキサ-6,9,15-トリアザテトラシクロ[16.3.1.03,7.09,13]ドコサ-1(21),16,18(22),19-テトラエン-6-イル]-3-メチル-1-オキソペンタン-2-イル]-3-メチルペンタンアミド
  • (2S,3S)-2-(dimethylamino)-N-[(2S,3S)-1-[(7S,13S)-19-hydroxy-8,14-dioxo-2-oxa-6,9,15-triazatetracyclo[16.3.1.03,7.09,13]docosa-1(21),16,18(22),19-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methylpentanamide
Other name (3)：
  • (2S,3S)-N-[(1S,2S)-1-[[(13aS,18aS)-3,3a,12,13,13a,14,15,16,18,18a-Decahydro-8-hydroxy-13,18-dioxo-5,9-metheno-9H-dipyrrolo[3,2-b:1′,2′-e][1,5,8]oxadiazacyclopentadecine-1(2H)-yl]carbonyl]-2-methylbutyl]-2-(dimethylamino)-3-methylpentanamide
  • Zizyphine F
  • ジジフィンF
CAS registry number： 55839-64-0
KEGG COMPOUND： C10016
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