N-(2-methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide

HCID 57722282
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Basic information

Standard SMILES
CO[C@@H](C(=O)NC1Cc2ccccc2CN(C)C1=O)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C
InChIKey
QDLWSYNFNQCDNT-YLZLJMFVSA-N
Molecular formula
C23H34N2O6
Average molar mass
434.5 g/mol

Names & identifiers

Preferred name
N-(2-methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide
IUPAC
(E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethyl-N-(2-methyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl)non-6-enamide

Names & synonyms

SCHEMBL4492604QDLWSYNFNQCDNT-YLZLJMFVSA-NN-(2-methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide

Database identifiers

PubChem CID
57722282

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
119 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
31

Related reactions

1 records
New reaction record

Linked notes

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