2-Oxazolidinone, 3-[(2S,4S)-4-azido-2-(1-methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylmethyl)-, (4S)-

HCID 53385507CAS 173154-01-3

Grundinformationen

Standard-SMILES
CC(C)[C@@H]1C[C@@H]([C@H](C[C@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C(C)C)N=[N+]=[N-])OC1=O
InChIKey
AZMFFFCHYNXWLN-SXYSDOLCSA-N
Summenformel
C24H32N4O5
Durchschnittliche Molmasse
456,5 g/mol
Monoisotopische Masse
456,23727012

Namen und Bezeichner

Bevorzugter Name
2-Oxazolidinone, 3-[(2S,4S)-4-azido-2-(1-methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylmethyl)-, (4S)-
IUPAC
(4S)-3-[(2S,4S)-4-azido-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutanoyl]-4-benzyl-1,3-oxazolidin-2-one
Englischer Name
(4S)-3-[(2S,4S)-4-Azido-2-(1-Methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-Methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylMethyl)-2-Oxazolidinone
Summenformel
C24H32N4O5
Molmasse
456.54

Namen und Synonyme

173154-01-3(4S)-3-[(2S,4S)-4-azido-4-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]-2-propan-2-ylbutanoyl]-4-benzyl-1,3-oxazolidin-2-one2-Oxazolidinone, 3-[(2S,4S)-4-azido-2-(1-methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylmethyl)-, (4S)-(4S)-3-[(2S,4S)-4-Azido-2-(1-methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylmethyl)-2-oxazolidinoneAliskiren intermediate EAZMFFFCHYNXWLN-SXYSDOLCSA-NDTXSID30693742AKOS015951414(S)-3-((2S,4S)-4-azido-2-isopropyl-4-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)butanoyl)-4-benzyloxazolidin-2-one(4S)-3-[(2S,4S)-4-Azido-2-(1-Methylethyl)-1-oxo-4-[(2S,4S)-tetrahydro-4-(1-Methylethyl)-5-oxo-2-fura(4S)-3-[(2S,4S)-4-Azido-4-[(2S,4S)-5-oxo-4-(propan-2-yl)oxolan-2-yl]-2-(propan-2-yl)butanoyl]-4-benzyl-1,3-oxazolidin-2-one3(S)-Isopropyl-5(S)-{1(S)-azido-4-methyl-3(S)-[(4(S)-benzyl-oxazolidin-2-on-3-yl)-carbonyl]-pentyl}-tetrahydrofuran-2-one
Weitere Namen anzeigen
(4S)-3-[(2S,4S)-4-azido-2-isopropyl-4-[(2S,4S)-4-isopropyl-5...(4S)-3-[(2S,4S)-4-azido-2-isopropyl-4-[(2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl]butanoyl]-4-benzyl-oxazolidin-2-one3-[4-azido-2-(1-Methylethyl)-1-oxo-4-[tetrahydro-4-(1-Methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylMethyl)-, [2S-[2[1(R*),2R*,4R*],4]]-2-oxazolidinone2-Oxazolidinone, 3-[4-azido-2-(1-Methylethyl)-1-oxo-4-[tetrahydro-4-(1-Methylethyl)-5-oxo-2-furanyl]butyl]-4-(phenylMethyl)-, [2S-[2[1(R*),2R*,4R*],4]]-

Datenbank-Bezeichner

CAS
173154-01-3
PubChem CID
53385507
DTXSID
DTXSID30693742
EC Number
605-665-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,7
Polarare Oberfläche (TPSA)
87,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
9
Schwere Atome
33

Physikochemische Eigenschaften

Schmelzpunkt
105 ℃ · 105℃
pka
-2.364 · -2.364±0.40(predicted)

Chemie und Industrie

Anbieter12 Anbieter

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