Chem
J-GLOBAL ID:200907002116202371
Nikkaji number:J1.897.364B
(3R)-3-[Benzyl[(S)-α-methylbenzyl]amino]-9-(tetrahydro-2H-pyran-2-yloxy)nonanoic acid ethyl ester
エチル (3R)-3-{ベンジル[(1S)-1-フェニルエチル]アミノ}-9-(オキサン-2-イルオキシ)ノナノアート
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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 NO4
Molecular formula furigana:
C31-H45-N-O4
Molecular weight:
495.704
InChI:
InChI=1S/C31H45NO4/c1-3-34-30(33)24-29(20-12-4-5-14-22-35-31-21-13-15-23-36-31)32(25-27-16-8-6-9-17-27)26(2)28-18-10-7-11-19-28/h6-11,16-19,26,29,31H,3-5,12-15,20-25H2,1-2H3/t26-,29+,31?/m0/s1
InChI key:
VAJJENPWVCXBAH-MVHRCATFSA-N
SMILES:
CCOC(=O)C[C@@H](CCCCCCOC1CCCCO1)N(Cc1ccccc1)[C@@H](C)c1ccccc1
Systematic name (3):
(3R)-3-[ベンジル[(S)-α-メチルベンジル]アミノ]-9-(テトラヒドロ-2H-ピラン-2-イルオキシ)ノナン酸エチル
エチル (3R)-3-{ベンジル[(1S)-1-フェニルエチル]アミノ}-9-(オキサン-2-イルオキシ)ノナノアート
ethyl (3R)-3-{benzyl[(1S)-1-phenylethyl]amino}-9-(oxan-2-yloxy)nonanoate
Other name (1):
(3R)-3-[Benzyl[(S)-α-methylbenzyl]amino]-9-(tetrahydro-2H-pyran-2-yloxy)nonanoic acid ethyl ester
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