Chem
J-GLOBAL ID:200907024573713300   Nikkaji number:J1.435.462J

(2S)-1-[(3S)-3,7-Dimethyl-6-octenyl]-2β-isopropyl-5α-(hydroxymethyl)-9-[3-(dimethylamino)propionyl]-1,2,4,5,6,8-hexahydro-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one

(2S)-1-[(3S)-3,7-ジメチル-6-オクテニル]-2β-イソプロピル-5α-(ヒドロキシメチル)-9-[3-(ジメチルアミノ)プロピオニル]-1,2,4,5,6,8-ヘキサヒドロ-3H-ピロロ[4,3,2-gh]-1,4-ベンゾジアゾニン-3-オン
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: C31H48N4O3
Molecular formula furigana: C31-H48-N4-O3
Molecular weight: 524.750
InChI: InChI=1S/C31H48N4O3/c1-20(2)9-8-10-22(5)13-16-35-26-12-11-25(27(37)14-15-34(6)7)29-28(26)23(18-32-29)17-24(19-36)33-31(38)30(35)21(3)4/h9,11-12,18,21-22,24,30,32,36H,8,10,13-17,19H2,1-7H3,(H,33,38)/t22-,24-,30-/m0/s1
InChI key: OMKAVCJNSPTLNF-RSDZZNSJSA-N
SMILES: C[C@@H](CCC=C(C)C)CCN1[C@@H](C(C)C)C(=O)N[C@H](CO)Cc2c[nH]c3c(ccc1c23)C(=O)CCN(C)C
Systematic name  (3):
  • (2S)-1-[(3S)-3,7-ジメチル-6-オクテニル]-2β-イソプロピル-5α-(ヒドロキシメチル)-9-[3-(ジメチルアミノ)プロピオニル]-1,2,4,5,6,8-ヘキサヒドロ-3H-ピロロ[4,3,2-gh]-1,4-ベンゾジアゾニン-3-オン
  • (10S,13S)-5-[3-(ジメチルアミノ)プロパノイル]-9-[(3S)-3,7-ジメチルオクタ-6-エン-1-イル]-13-(ヒドロキシメチル)-10-(プロパン-2-イル)-3,9,12-トリアザトリシクロ[6.6.1.04,15]ペンタデカ-1,4,6,8(15)-テトラエン-11-オン
  • (10S,13S)-5-[3-(dimethylamino)propanoyl]-9-[(3S)-3,7-dimethyloct-6-en-1-yl]-13-(hydroxymethyl)-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Other name (1):
  • (2S)-1-[(3S)-3,7-Dimethyl-6-octenyl]-2β-isopropyl-5α-(hydroxymethyl)-9-[3-(dimethylamino)propionyl]-1,2,4,5,6,8-hexahydro-3H-pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one
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