Anacyclamide E10
Grundinformationen
- Standard-SMILES
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O- InChIKey
IECYCJGUKYTYQQ-KICVKIPVSA-N- Summenformel
- C53H74N12O13
- Durchschnittliche Molmasse
- 1.087,2 g/mol
- Monoisotopische Masse
- 1.086,54983046
Überblick
Anacyclamide E10 is a cyclic peptide.
Namen und Bezeichner
- Bevorzugter Name
- Anacyclamide E10
- IUPAC
- 3-[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-24-(2-amino-2-oxoethyl)-21-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-30-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32-decaoxo-15-propan-2-yl-1,4,7,13,16,19,22,25,28,31-decazatricyclo[31.3.0.09,13]hexatriacontan-27-yl]propanamide
Namen und Synonyme
Anacyclamide E103-[(3S,6S,9S,15S,21S,24S,27S,30S,33S)-24-(2-amino-2-oxoethyl)-21-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-30-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32-decaoxo-15-propan-2-yl-1,4,7,13,16,19,22,25,28,31-decazatricyclo[31.3.0.09,13]hexatriacontan-27-yl]propanamide3-((3S,6S,9S,15S,21S,24S,27S,30S,33S)-21-Benzyl-5,8,17,20,23,26,29,32-octahydroxy-24-((C-hydroxycarbonimidoyl)methyl)-6-((4-hydroxyphenyl)methyl)-3-methyl-30-(2-methylpropyl)-2,14-dioxo-15-(propan-2-yl)-1,4,7,13,16,19,22,25,28,31-decaazatricyclo(31.3.0.0,)hexatriaconta-4,7,16,19,22,25,28,31-octaen-27-yl)propanimidate3-((3S,6S,9S,15S,21S,24S,27S,30S,33S)-24-(2-amino-2-oxoethyl)-21-benzyl-6-((4-hydroxyphenyl)methyl)-3-methyl-30-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32-decaoxo-15-propan-2-yl-1,4,7,13,16,19,22,25,28,31-decazatricyclo(31.3.0.09,13)hexatriacontan-27-yl)propanamide3-((6S,12S,15S,18S,21S,23aS,29S,32S,34aS)-15-(2-amino-2-oxoethyl)-12-benzyl-32-(4-hydroxybenzyl)-21-isobutyl-6-isopropyl-29-methyl-5,8,11,14,17,20,23,28,31,34-decaoxodotriacontahydro-1H,5H-dipyrrolo(1,2-a:1',2'-j)(1,4,7,10,13,16,19,22,25,28)decaazacyclotriacontin-18-yl)propanamide3-((6S,12S,15S,18S,21S,23aS,29S,32S,34aS)-15-(2-amino-2-oxoethyl)-12-benzyl-32-(4-hydroxybenzyl)-21-isobutyl-6-isopropyl-29-methyl-5,8,11,14,17,20,23,28,31,34-decaoxodotriacontahydro-1H,5H-dipyrrolo[1,2-a:1',2'-j][1,4,7,10,13,16,19,22,25,28]decaazacyclotriacontin-18-yl)propanamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 380 Ų
- H-Brücken-Donoren
- 11
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 78
- Formalladung
- 0
- Komplexität
- 2.200
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