Chem
J-GLOBAL ID：200907072754164973   Nikkaji number：J2.771.469B

Ceanothine B

セアノチンB
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： C29H36N4O4
Molecular formula furigana： C29-H36-N4-O4
Molecular weight： 504.631
InChI： InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t23-,24-,25-,26+/m0/s1
InChI key： IDZLSIWTJUALRQ-ASDGIDEWSA-N
SMILES： CC(C)[C@H]1Oc2ccc(cc2)C=CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C
Systematic name  (3)：
  • (2S)-1-メチル-N-[(3R,4S,7S)-3-イソプロピル-5,8-ジオキソ-7-ベンジル-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]-2-ピロリジンカルボアミド
  • (2S)-N-[(3R,4S,7S)-7-ベンジル-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]-1-メチルピロリジン-2-カルボキサミド
  • (2S)-N-[(3R,4S,7S)-7-benzyl-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-1-methylpyrrolidine-2-carboxamide
Other name (3)：
  • (2S)-1-Methyl-N-[(3R,4S,7S)-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraene-4-yl]-2-pyrrolidinecarboxamide
  • Ceanothine B
  • セアノチンB
CAS registry number： 19471-43-3
KEGG COMPOUND： C10001
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