Chem
J-GLOBAL ID:201107004028736286
Nikkaji number:J2.909.120J
(1S,2R)-NCL-1
(2S)-4-{3-[(1R,2S)-2-アミノシクロプロピル]フェノキシ}-N-ベンジル-2-(フェニルホルムアミド)ブタンアミド
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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:
C27 H29 N3 O3
Molecular formula furigana:
C27-H29-N3-O3
Molecular weight:
443.547
InChI:
InChI=1S/C27H29N3O3/c28-24-17-23(24)21-12-7-13-22(16-21)33-15-14-25(30-26(31)20-10-5-2-6-11-20)27(32)29-18-19-8-3-1-4-9-19/h1-13,16,23-25H,14-15,17-18,28H2,(H,29,32)(H,30,31)/t23-,24+,25+/m1/s1
InChI key:
DTPSXFMGMQOVTG-DSITVLBTSA-N
SMILES:
N[C@H]1C[C@@H]1c1cccc(OCC[C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c1
Systematic name (4):
N-[(S)-1-(ベンジルカルバモイル)-3-[3-[(1R,2S)-2-アミノシクロプロピル]フェノキシ]プロピル]ベンズアミド
N-[(1S)-1-(ベンジルカルバモイル)-3-[3-[(1R,2S)-2-アミノシクロプロピル]フェノキシ]プロピル]ベンズアミド
(2S)-4-{3-[(1R,2S)-2-アミノシクロプロピル]フェノキシ}-N-ベンジル-2-(フェニルホルムアミド)ブタンアミド
(2S)-4-{3-[(1R,2S)-2-aminocyclopropyl]phenoxy}-N-benzyl-2-(phenylformamido)butanamide
Other name (3):
N-[(S)-1-(Benzylcarbamoyl)-3-[3-[(1R,2S)-2-aminocyclopropyl]phenoxy]propyl]benzamide
(1S,2R)-NCL-1
N-[(1S)-1-(Benzylcarbamoyl)-3-[3-[(1R,2S)-2-aminocyclopropyl]phenoxy]propyl]benzamide
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