Chem
J-GLOBAL ID:200907051808760120   Nikkaji number:J2.439.853F

N-Demethylamphibine E

N-デメチルアンフィビンE
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: C37H48N6O5
Molecular formula furigana: C37-H48-N6-O5
Molecular weight: 656.828
InChI: InChI=1S/C37H48N6O5/c1-6-23(4)32-35(45)39-17-15-24-11-13-26(14-12-24)48-31-16-18-43(33(31)36(46)42-32)37(47)30(41-34(44)29(38-5)19-22(2)3)20-25-21-40-28-10-8-7-9-27(25)28/h7-15,17,21-23,29-33,38,40H,6,16,18-20H2,1-5H3,(H,39,45)(H,41,44)(H,42,46)/t23-,29-,30-,31-,32-,33-/m0/s1
InChI key: RKNFZXGAJUZHGE-XDGMXVDYSA-N
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC)Oc2ccc(cc2)C=CNC1=O
Systematic name  (3):
  • (2S)-2-(メチルアミノ)-N-[(S)-1-(1H-インドール-3-イルメチル)-2-[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-オクタヒドロ-13-[(S)-1-メチルプロピル]-12,15-ジオキソ-5,8-エテノピロロ[3,2-b][1,5,8]オキサジアザシクロテトラデシン-1(2H)-イル]-2-オキソエチル]-4-メチルペンタンアミド
  • (2S)-N-[(2S)-1-[(3S,7S,10S)-10-[(2S)-ブタン-2-イル]-8,11-ジオキソ-2-オキサ-6,9,12-トリアザトリシクロ[13.2.2.03,7]ノナデカ-1(17),13,15,18-テトラエン-6-イル]-3-(1H-インドール-3-イル)-1-オキソプロパン-2-イル]-4-メチル-2-(メチルアミノ)ペンタンアミド
  • (2S)-N-[(2S)-1-[(3S,7S,10S)-10-[(2S)-butan-2-yl]-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methyl-2-(methylamino)pentanamide
Other name (3):
  • (2S)-2-(Methylamino)-N-[(S)-1-(1H-indole-3-ylmethyl)-2-[(3aS,13S,15aS)-3,3a,11,12,13,14,15,15a-octahydro-13-[(S)-1-methylpropyl]-12,15-dioxo-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecine-1(2H)-yl]-2-oxoethyl]-4-methylpentanamide
  • N-デメチルアンフィビンE
  • N-Demethylamphibine E
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