(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Grundinformationen
- Standard-SMILES
CCC[C@H]1N=C(O)[C@H](C)N(C)C(=O)C(C)(C)C(=O)[C@H](C)N=C(O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN=C(O)[C@H](CC(C)C)N(C)C(=O)CN=C(O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C- InChIKey
BNVLXJXRCARHAN-ZTXKJSPQSA-N- Summenformel
- C52H84N8O12
- Durchschnittliche Molmasse
- 1.013,3 g/mol
- Monoisotopische Masse
- 1.012,62087013
Überblick
(2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone has been reported in Lyngbya majuscula with data available.
Namen und Bezeichner
- Bevorzugter Name
- (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
- IUPAC
- (2S,8S,14S,17S,20S,25S,28R,29S)-2-[(2S)-butan-2-yl]-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-8-(2-methylpropyl)-14-propan-2-yl-28-propyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 250 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 72
- Formalladung
- 0
- Komplexität
- 1.920
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