(1,1-dimethyl ethyl) N-(5-bromo-2-benzoxazolyl)-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-L-alaninate

HCID 69733400
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Basic information

Standard SMILES
COC(=O)CCc1ccc(C(=O)NC[C@H](Nc2nc3cc(Br)ccc3o2)C(=O)OC(C)(C)C)cc1
InChIKey
KFCDBACSASIGDS-IBGZPJMESA-N
Molecular formula
C25H28BrN3O6
Average molar mass
546.4 g/mol

Names & identifiers

Preferred name
(1,1-dimethyl ethyl) N-(5-bromo-2-benzoxazolyl)-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-L-alaninate
IUPAC
tert-butyl (2S)-2-[(5-bromo-1,3-benzoxazol-2-yl)amino]-3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]propanoate

Names & synonyms

SCHEMBL6289044KFCDBACSASIGDS-IBGZPJMESA-N(1,1-dimethyl ethyl) N-(5-bromo-2-benzoxazolyl)-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]-L-alaninate

Database identifiers

PubChem CID
69733400

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
35

Related reactions

2 records
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Compound notes

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