Chem
J-GLOBAL ID:201307099808738197
Nikkaji number:J3.208.292K
(3S,8aβ)-N-[(4R)-3,4-Dihydro-2H-1-benzopyran-4-yl]-2-[(S)-2-[[(2S)-2-(methylamino)propionyl]amino]-2-cyclohexylacetyl]-6β,7β-methanooctahydropyrrolo[1,2-a]pyrazine-3α-carboxamide
(3S,8aβ)-N-[(4R)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-[(S)-2-[[(2S)-2-(メチルアミノ)プロピオニル]アミノ]-2-シクロヘキシルアセチル]-6β,7β-メタノオクタヒドロピロロ[1,2-a]ピラジン-3α-カルボアミド
Download MOL file
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:
C30 H43 N5 O4
Molecular formula furigana:
C30-H43-N5-O4
Molecular weight:
537.705
InChI:
InChI=1S/C30H43N5O4/c1-18(31-2)28(36)33-27(19-8-4-3-5-9-19)30(38)35-16-21-14-20-15-24(20)34(21)17-25(35)29(37)32-23-12-13-39-26-11-7-6-10-22(23)26/h6-7,10-11,18-21,23-25,27,31H,3-5,8-9,12-17H2,1-2H3,(H,32,37)(H,33,36)/t18-,20+,21+,23+,24-,25-,27-/m0/s1
InChI key:
OGTGKCOHYGILPQ-BBAYRLSSSA-N
SMILES:
CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H]2C[C@@H]3C[C@@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc12
Systematic name (3):
(3S,8aβ)-N-[(4R)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-[(S)-2-[[(2S)-2-(メチルアミノ)プロピオニル]アミノ]-2-シクロヘキシルアセチル]-6β,7β-メタノオクタヒドロピロロ[1,2-a]ピラジン-3α-カルボアミド
(2S,4S,6R,9S)-8-[(2S)-2-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]-1,8-ジアザトリシクロ[4.4.0.02,4 ]デカン-9-カルボキサミド
(2S,4S,6R,9S)-8-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]-1,8-diazatricyclo[4.4.0.02,4 ]decane-9-carboxamide
Other name (1):
(3S,8aβ)-N-[(4R)-3,4-Dihydro-2H-1-benzopyran-4-yl]-2-[(S)-2-[[(2S)-2-(methylamino)propionyl]amino]-2-cyclohexylacetyl]-6β,7β-methanooctahydropyrrolo[1,2-a]pyrazine-3α-carboxamide
Thsaurus map:
Return to Previous Page