Chem
J-GLOBAL ID:201407086008823016
Nikkaji number:J3.222.527F
T-3256336
(3S,7R,8aR)-2-[(2S)-2-(4,4-ジフルオロシクロヘキシル)-2-[(N-メチル-L-アラニル)アミノ]アセチル]-N-[(4R)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-7-エトキシオクタヒドロピロロ[1,2-a]ピラジン-3-カルボアミド
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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:
C31 H45 F2 N5 O5
Molecular formula furigana:
C31-H45-F2-N5-O5
Molecular weight:
605.728
InChI:
InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1
InChI key:
WQLHYSFOEZZZDD-QAPMSZJWSA-N
SMILES:
CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]1CCOc2ccccc12)C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC(F)(F)CC1
Systematic name (3):
(3S,7R,8aR)-2-[(2S)-2-(4,4-ジフルオロシクロヘキシル)-2-[(N-メチル-L-アラニル)アミノ]アセチル]-N-[(4R)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-7-エトキシオクタヒドロピロロ[1,2-a]ピラジン-3-カルボアミド
(3S,7R,8aR)-2-[(2S)-2-(4,4-ジフルオロシクロヘキシル)-2-[(2S)-2-(メチルアミノ)プロパンアミド]アセチル]-N-[(4R)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-7-エトキシ-オクタヒドロピロロ[1,2-a]ピラジン-3-カルボキサミド
(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]-7-ethoxy-octahydropyrrolo[1,2-a]pyrazine-3-carboxamide
Other name (2):
(3S,7R,8aR)-2-[(2S)-2-(4,4-Difluorocyclohexyl)-2-[(N-methyl-L-alanyl)amino]acetyl]-N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
T-3256336
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