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(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate structure

CAS No:
744198-12-7
Formula:
C21H21BrN2O5
Chemical Name:
(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Synonyms:
Dihydroisoxazole, 2a;744198-12-7;SCHEMBL1091630;BDBM59182;DTXSID70349372;L-phenylalanine, N-[(phenylmethoxy)carbonyl]-, (3-bromo-4,5-dihydro-5-isoxazolyl)methyl ester;(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate;L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, (3-bromo-4,5-dihydro-5-isoxazolyl)methyl ester (9CI)

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(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Basic Attributes

Molecular Weight：

461.3 g/mol

Exact Mass：

460.06338 g/mol

DSSTox ID：

DTXSID70349372

Characteristics

PSA：

86.2 Å²

Computed Properties

Molecular Weight:461.3
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:460.06338
Monoisotopic Mass:460.06338
Topological Polar Surface Area:86.2
Heavy Atom Count:29
Complexity:573
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Basic Attributes
Characteristics
Computed Properties
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