5-(R)-[2-(S)-Acetylamino-3-(3-butoxyphenyl)-1-(S)-hydroxypropyl]-2-(R)-(2,2-dimethylpropoxy)-3-(S)-methylmorpholine-4-carboxylic acid tert-butyl ester

HCID 58972241
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Basic information

Standard SMILES
CCCCOc1cccc(C[C@H](NC(C)=O)[C@H](O)[C@H]2CO[C@@H](OCC(C)(C)C)[C@H](C)N2C(=O)OC(C)(C)C)c1
InChIKey
ITBNGRKWBXTSMB-NBBGBEJASA-N
Molecular formula
C30H50N2O7
Average molar mass
550.7 g/mol

Names & identifiers

Preferred name
5-(R)-[2-(S)-Acetylamino-3-(3-butoxyphenyl)-1-(S)-hydroxypropyl]-2-(R)-(2,2-dimethylpropoxy)-3-(S)-methylmorpholine-4-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (2R,3S,5R)-5-[(1S,2S)-2-acetamido-3-(3-butoxyphenyl)-1-hydroxypropyl]-2-(2,2-dimethylpropoxy)-3-methylmorpholine-4-carboxylate

Names & synonyms

SCHEMBL3239292ITBNGRKWBXTSMB-NBBGBEJASA-N5-(R)-[2-(S)-Acetylamino-3-(3-butoxyphenyl)-1-(S)-hydroxypropyl]-2-(R)-(2,2-dimethylpropoxy)-3-(S)-methylmorpholine-4-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
58972241

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
39

Related reactions

1 records
New reaction record

Linked notes

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