Clavariopsin C
Grundinformationen
- Standard-SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CC(=O)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)CNC1=O- InChIKey
ONVRPXLSGWVKAY-RKXBODORSA-N- Summenformel
- C58H93N9O14
- Durchschnittliche Molmasse
- 1.140,4 g/mol
- Monoisotopische Masse
- 1.139,68419866
Überblick
Clavariopsin C is a cyclodepsipeptide.
Namen und Bezeichner
- Bevorzugter Name
- Clavariopsin C
- IUPAC
- 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,19,22,28-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid
Namen und Synonyme
Clavariopsin C2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-10,19,22,28-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetic acid2-((3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis((2S)-butan-2-yl)-6-((4-methoxyphenyl)methyl)-10,19,22,28-tetramethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-3,9,24,27-tetra(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo(28.4.0)tetratriacontan-21-yl)acetic acidRefChem:1268312-((3S,6S,9S,12S,15S,21S,24S,27R,33AS)-12,15-bis((2S)-butan-2-yl)-4,13,16,22-tetrahydroxy-24-((4-methoxyphenyl)methyl)-2,8,11,20-tetramethyl-1,7,10,19,25,28-hexaoxo-3,6,21,27-tetrakis(propan-2-yl)-1H,2H,3H,6H,7H,8H,9H,10H,11H,12H,15H,18H,19H,20H,21H,24H,25H,27H,28H,30H,31H,32H,33H,33ah-pyrido(1,2-D)1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl)acetate2-[(3S,6S,9S,12S,15S,21S,24S,27R,33AS)-12,15-bis[(2S)-butan-2-yl]-4,13,16,22-tetrahydroxy-24-[(4-methoxyphenyl)methyl]-2,8,11,20-tetramethyl-1,7,10,19,25,28-hexaoxo-3,6,21,27-tetrakis(propan-2-yl)-1H,2H,3H,6H,7H,8H,9H,10H,11H,12H,15H,18H,19H,20H,21H,24H,25H,27H,28H,30H,31H,32H,33H,33ah-pyrido[1,2-D]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl]acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,2
- Polarare Oberfläche (TPSA)
- 291 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 81
- Formalladung
- 0
- Komplexität
- 2.220
Zugehörige Reaktionen
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