Lobocyclamide A
Grundinformationen
- Standard-SMILES
C/C=C1/N=C(O)[C@H](CO)N=C(O)C[C@@H](CCCCC)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)CC)N=C(O)[C@H](C(C)CC)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](Cc2ccc(O)cc2)N=C(O)[C@H](CCO)N=C(O)[C@@H]2C[C@@H](O)CN2C1=O- InChIKey
UCGPFEODLDUNCV-WYAKQIMPSA-N- Summenformel
- C59H95N11O15
- Durchschnittliche Molmasse
- 1.198,4 g/mol
- Monoisotopische Masse
- 1.197,70091134
Überblick
Lobocyclamide A is a peptide.
Namen und Bezeichner
- Bevorzugter Name
- Lobocyclamide A
- IUPAC
- (3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
Namen und Synonyme
Lobocyclamide ADTXSID001334604(3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-((4-hydroxyphenyl)methyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo(32.3.0)heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone(3E,6S,10R,16S,19S,22S,25R,28R,31S,34S,36R)-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-[(4-hydroxyphenyl)methyl]-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undeconeRefChem:924873DTXCID901764024(3E,6R,10R,16R,19S,22R,28R,34S,36R)-22-((2R)-butan-2-yl)-19-((2S)-butan-2-yl)-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-6-(hydroxymethyl)-28-((4-hydroxyphenyl)methyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo(32.3.0)heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone(3S,6R,9R,12S,15S,18S,24R,28S,35R,36aS,E)-15-((R)-sec-butyl)-12-(sec-butyl)-31-ethylidene-35-hydroxy-6-(4-hydroxybenzyl)-3-(2-hydroxyethyl)-28-(hydroxymethyl)-9,18-diisobutyl-24-pentyltetracosahydropyrrolo(1,2-g)(1,4,7,10,13,16,19,22,25,28,31)undecaazacyclotetratriacontin-1,4,7,10,13,16,19,22,26,29,32(23H)-undecaone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 392 Ų
- H-Brücken-Donoren
- 14
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 2.290
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