Muscotoxin C
Grundinformationen
- Standard-SMILES
CC=C1N=C(O)[C@H](CO)N=C(O)[C@@H](C(C)C)N=C(O)[C@H](Cc2ccccc2)N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@@H](CCC(=N)O)N=C(O)C(O)C(CC(O)CCCCC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)CC)N=C(O)[C@H](CO)N=C1O- InChIKey
BMPIZPUAPRMYEH-XSHUOMFLSA-N- Summenformel
- C57H88N12O16
- Durchschnittliche Molmasse
- 1.197,4 g/mol
- Monoisotopische Masse
- 1.196,64412474
Überblick
Muscotoxin C is a cyclic peptide.
Namen und Bezeichner
- Bevorzugter Name
- Muscotoxin C
- IUPAC
- 3-[(6R,13S,19R,22S,28S,31R,34S,37S)-34-benzyl-19-[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide
Namen und Synonyme
Muscotoxin C3-[(6R,13S,19R,22S,28S,31R,34S,37S)-34-benzyl-19-[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-6-yl]propanamide3-((6R,13S,19R,22S,28S,31R,34S,37S)-34-Benzyl-19-((2S)-butan-2-yl)-25-ethylidene-5,8,9,12,21,24,27,30,33,36-decahydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,18-dioxo-31-(propan-2-yl)-1,4,7,11,17,20,23,26,29,32,35-undecaazatricyclo(35.3.0.0,)tetraconta-4,7,11,20,23,26,29,32,35-nonaen-6-yl)propanimidate3-((6R,13S,19R,22S,28S,31R,34S,37S)-34-benzyl-19-((2S)-butan-2-yl)-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo(35.3.0.013,17)tetracontan-6-yl)propanamide3-[(6R,13S,19R,22S,28S,31R,34S,37S)-34-Benzyl-19-[(2S)-butan-2-yl]-25-ethylidene-5,8,9,12,21,24,27,30,33,36-decahydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,18-dioxo-31-(propan-2-yl)-1,4,7,11,17,20,23,26,29,32,35-undecaazatricyclo[35.3.0.0,]tetraconta-4,7,11,20,23,26,29,32,35-nonaen-6-yl]propanimidate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 427 Ų
- H-Brücken-Donoren
- 14
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 2.390
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