Nostopeptolide L1
Grundinformationen
- Standard-SMILES
C/C=C1/NC(=O)[C@@H]2C[C@H](C)CN2C(=O)C(C)C(=O)C(Cc2ccccc2)NC(=O)[C@H](COC)NC(=O)[C@H](NC(=O)/C(C)=C\CCC)[C@H](C)OC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC1=O- InChIKey
YBUKCWICWKQCSF-UDXWXPJYSA-N- Summenformel
- C53H77N9O14
- Durchschnittliche Molmasse
- 1.064,2 g/mol
- Monoisotopische Masse
- 1.063,55899816
Überblick
Nostopeptolide L1 is a cyclodepsipeptide.
Namen und Bezeichner
- Bevorzugter Name
- Nostopeptolide L1
- IUPAC
- (Z)-N-[(3S,6S,9E,12S,14S,23S,26R,27S,30S,32R)-3-(3-amino-3-oxopropyl)-20-benzyl-6-[(2S)-butan-2-yl]-9-ethylidene-32-hydroxy-23-(methoxymethyl)-14,18,27-trimethyl-2,5,8,11,17,19,22,25,29-nonaoxo-28-oxa-1,4,7,10,16,21,24-heptazatricyclo[28.3.0.012,16]tritriacontan-26-yl]-2-methylhex-2-enamide
Namen und Synonyme
Nostopeptolide L1(Z)-N-[(3S,6S,9E,12S,14S,23S,26R,27S,30S,32R)-3-(3-amino-3-oxopropyl)-20-benzyl-6-[(2S)-butan-2-yl]-9-ethylidene-32-hydroxy-23-(methoxymethyl)-14,18,27-trimethyl-2,5,8,11,17,19,22,25,29-nonaoxo-28-oxa-1,4,7,10,16,21,24-heptazatricyclo[28.3.0.012,16]tritriacontan-26-yl]-2-methylhex-2-enamide(2Z)-N-((3S,6S,9E,12S,14S,23S,26R,27S,30S,32R)-20-Benzyl-6-((2S)-butan-2-yl)-9-ethylidene-5,8,11,22,25,32-hexahydroxy-3-(2-(C-hydroxycarbonimidoyl)ethyl)-23-(methoxymethyl)-14,18,27-trimethyl-2,17,19,29-tetraoxo-28-oxa-1,4,7,10,16,21,24-heptaazatricyclo(28.3.0.0,)tritriaconta-4,7,10,21,24-pentaen-26-yl)-2-methylhex-2-enimidate(2Z)-N-[(3S,6S,9E,12S,14S,23S,26R,27S,30S,32R)-20-Benzyl-6-[(2S)-butan-2-yl]-9-ethylidene-5,8,11,22,25,32-hexahydroxy-3-[2-(C-hydroxycarbonimidoyl)ethyl]-23-(methoxymethyl)-14,18,27-trimethyl-2,17,19,29-tetraoxo-28-oxa-1,4,7,10,16,21,24-heptaazatricyclo[28.3.0.0,]tritriaconta-4,7,10,21,24-pentaen-26-yl]-2-methylhex-2-enimidate(Z)-N-((2S,11S,14R,15S,17aS,19R,23S,26S,31aS,E)-23-(3-amino-3-oxopropyl)-8-benzyl-26-((S)-sec-butyl)-29-ethylidene-19-hydroxy-11-(methoxymethyl)-2,6,15-trimethyl-5,7,10,13,17,22,25,28,31-nonaoxooctacosahydro-5H,17H-dipyrrolo(2,1-c:2',1'-o)(1)oxa(4,7,10,13,16,21,24)heptaazacycloheptacosin-14-yl)-2-methylhex-2-enamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 331 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 76
- Formalladung
- 0
- Komplexität
- 2.210
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…