Chem
J-GLOBAL ID：200907073568849733   Nikkaji number：J92.892E

Americine

アメリシン
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： C31H39N5O4
Molecular formula furigana： C31-H39-N5-O4
Molecular weight： 545.684
InChI： InChI=1S/C31H39N5O4/c1-18(2)26(32-5)30(38)36-27-28(19(3)4)40-22-12-10-20(11-13-22)14-15-33-29(37)25(35-31(27)39)16-21-17-34-24-9-7-6-8-23(21)24/h6-15,17-19,25-28,32,34H,16H2,1-5H3,(H,33,37)(H,35,39)(H,36,38)/t25-,26-,27-,28+/m0/s1
InChI key： SBDJWBSJRCPRDV-LAJGZZDBSA-N
SMILES： CN[C@@H](C(C)C)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)C=CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Systematic name  (3)：
  • (3R,4S,7S)-7β-[(1H-インドール-3-イル)メチル]-3α-イソプロピル-4α-[(S)-3-メチル-2-(メチルアミノ)ブチリルアミノ]-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-10,12,14(1),15-テトラエン-5,8-ジオン
  • (2S)-N-[(3R,4S,7S)-7-[(1H-インドール-3-イル)メチル]-5,8-ジオキソ-3-(プロパン-2-イル)-2-オキサ-6,9-ジアザビシクロ[10.2.2]ヘキサデカ-1(14),10,12,15-テトラエン-4-イル]-3-メチル-2-(メチルアミノ)ブタンアミド
  • (2S)-N-[(3R,4S,7S)-7-[(1H-indol-3-yl)methyl]-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methyl-2-(methylamino)butanamide
Other name (3)：
  • アメリシン
  • Americine
  • (3R,4S,7S)-7β-[(1H-Indol-3-yl)methyl]-3α-isopropyl-4α-[(S)-3-methyl-2-(methylamino)butyrylamino]-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14(1),15-tetrene-5,8-dione
CAS registry number： 18867-84-0
KEGG COMPOUND： C09996
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