(S)-2-{[(3S,8S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-7-(2-isopropyl-5-methyl-oxazole-4-carbonyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]-amino}-3-[4-(2,3-dimethyl-pyridin-4-yl)-phenyl]-propionic acid
Grundinformationen
- Standard-SMILES
Cc1nccc(-c2ccc(C[C@H](NC(=O)[C@@H]3Cc4cc5c(cc4CN3C(=O)c3nc(C(C)C)oc3C)O[C@@H](c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CO5)C(=O)O)cc2)c1C- InChIKey
ZALPDRYRNLYZGX-WRUZSIFFSA-N- Summenformel
- C49H46Cl2N4O8
- Durchschnittliche Molmasse
- 889,8 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (S)-2-{[(3S,8S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-7-(2-isopropyl-5-methyl-oxazole-4-carbonyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]-amino}-3-[4-(2,3-dimethyl-pyridin-4-yl)-phenyl]-propionic acid
- IUPAC
- (2S)-2-[[(3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-7-(5-methyl-2-propan-2-yl-1,3-oxazole-4-carbonyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]amino]-3-[4-(2,3-dimethyl-4-pyridinyl)phenyl]propanoic acid
Namen und Synonyme
SCHEMBL2023331ZALPDRYRNLYZGX-WRUZSIFFSA-N(S)-2-{[(35,85)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-7-(2-isopropyl-5-methyl-oxazole-4-carbonyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]-amino}-3-[4-(2,3-dimethyl-pyridin-4-yl)-phenyl]-propionic acid(S)-2-{[(3S,8S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-7-(2-isopropyl-5-methyl-oxazole-4-carbonyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl]-amino}-3-[4-(2,3-dimethyl-pyridin-4-yl)-phenyl]-propionic acid
Datenbank-Bezeichner
- PubChem CID
- 58327274
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,5
- Polarare Oberfläche (TPSA)
- 153 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 63
- Formalladung
- 0
- Komplexität
- 1.550
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…